KDM1A-IN-29

CAT: 0127-BUP01120-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01120-01Size:1 mg

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CAS Number

1423715-30-3

Smiles

C(N/N=C(\C)/C1=C(O)C=CC(Cl)=C1)(=O)C2=CC(S(NC)(=O)=O)=CC=C2

Chemical Information

Kdm1A-IN-29

CAS Number	1423715-30-3
PubChem CID	136265204
IUPAC Name	N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(methylsulfamoyl)benzamide
Molecular Formula	C16H16ClN3O4S
Molecular Weight	381.8
XLogP	2.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	605

SMILES

C/C(=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)NC)/C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C16H16ClN3O4S/c1-10(14-9-12(17)6-7-15(14)21)19-20-16(22)11-4-3-5-13(8-11)25(23,24)18-2/h3-9,18,21H,1-2H3,(H,20,22)/b19-10+

InChIKey

OKWHOGBLFYQHPU-VXLYETTFSA-N

Chemical Structure

2D Structure

CAS: 1423715-30-3

CID: 136265204

Formula: C16H16ClN3O4S

MW: 381.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.8
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	381.0550049
Monoisotopic Mass	381.0550049
Topological Polar Surface Area	116 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	605
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes