ML184

CAT: 0926-UGB57210-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UGB57210-01Size:50 mg

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CAS Number

794572-10-4

MDL Number

MFCD06367291

Smiles

CC1=C (C (=CC=C1) N2CCN (CC2) C (=O) C3=C (C=CC (=C3) S (=O) (=O) N (C) C) N4CCCC4) C

Molecular Formula

C25H34N4O3S

Molecular Weight

470.63 g/mol

Controlled

Chemical Information

3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-(pyrrolidin-1-yl)benzene-1-sulfonamide

3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N,N-dimethyl-4-(1-pyrrolidinyl)benzenesulfonamide is a member of piperazines.

CAS Number	794572-10-4
PubChem CID	2440433
IUPAC Name	3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
Molecular Formula	C25H34N4O3S
Molecular Weight	470.6
XLogP	3.5
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	769

SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N(C)C)N4CCCC4)C

InChI

InChI=1S/C25H34N4O3S/c1-19-8-7-9-23(20(19)2)28-14-16-29(17-15-28)25(30)22-18-21(33(31,32)26(3)4)10-11-24(22)27-12-5-6-13-27/h7-11,18H,5-6,12-17H2,1-4H3

InChIKey

VRSJAHQGJHDACS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 794572-10-4

CID: 2440433

Formula: C25H34N4O3S

MW: 470.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	470.6
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	470.23516213
Monoisotopic Mass	470.23516213
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	769
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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