N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

C13H12ClN3O3S — CID 2318074

IUPACN-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H12ClN3O3S/c14-11-6-1-2-7-12(11)17-21(19,20)10-5-3-4-9(8-10)13(18)16-15/h1-8,17H,15H2,(H,16,18)
InChIKeyVSUVXGKMPBJUDG-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.74
Rot. Bonds4

About N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide

N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (PubChem CID 2318074) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
PubChem CID2318074
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC NameN-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
SMILESNNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C13H12ClN3O3S/c14-11-6-1-2-7-12(11)17-21(19,20)10-5-3-4-9(8-10)13(18)16-15/h1-8,17H,15H2,(H,16,18)
InChIKeyVSUVXGKMPBJUDG-UHFFFAOYSA-N
XLogP1.74
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,4-Difluorobenzoyl)hydrazino]benzenesulfonamide
CID 2811806
N'-(benzenesulfonyl)-3-chloro-2-fluorobenzohydrazide
CID 134581202
N-[4-[[(3-chlorobenzoyl)amino]sulfamoyl]phenyl]acetamide
CID 1378690
1-[[3-[(2-Chlorophenyl)sulfamoyl]benzoyl]amino]-3-cyclohexylthiourea
CID 2350010
3-chloro-N'-[(2-nitrophenyl)sulfonyl]benzohydrazide
CID 3288552
3-(azetidine-1-carbonyl)-N-(2-chlorophenyl)benzenesulfonamide
CID 24978784
N'-(3-aminophenyl)sulfonyl-2-fluorobenzohydrazide
CID 155543095
2-Chloro-N'-(2-nitrobenzenesulfonyl)benzohydrazide
CID 1129578
4-(2-Benzoylhydrazino)benzenesulfonamide
CID 2811817
N'-(3-chlorophenyl)sulfonyl-2-fluorobenzohydrazide
CID 8523891
Benzenesulfonic acid, (o-aminobenzoyl)hydrazide
CID 202201
3-(Aminosulfonyl)-4-chlorobenzoic acid 2-methyl-2-phenylhydrazide
CID 135086

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide (CID 2318074) is N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
The InChIKey is VSUVXGKMPBJUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-11-6-1-2-7-12(11)17-21(19,20)10-5-3-4-9(8-10)13(18)16-15/h1-8,17H,15H2,(H,16,18).
What are the key properties of N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide?
N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide has a molecular weight of 325.78 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide is sourced from PubChem (CID 2318074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).