2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride

C9H13Cl2N3O3S — CID 174942395

IUPAC2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
SMILESCN(C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C9H12ClN3O3S.ClH/c1-13(2)12-9(14)6-3-4-7(10)8(5-6)17(11,15)16;/h3-5H,1-2H3,(H,12,14)(H2,11,15,16);1H
InChIKeyREZFARSQQHXINZ-UHFFFAOYSA-N
MW314.19 g/mol
LogP0.62
Rot. Bonds3

About 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride

2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride (PubChem CID 174942395) has the molecular formula C9H13Cl2N3O3S and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
PubChem CID174942395
Molecular FormulaC9H13Cl2N3O3S
Molecular Weight314.19 g/mol
Exact Mass313.01
IUPAC Name2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
SMILESCN(C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.Cl
InChIInChI=1S/C9H12ClN3O3S.ClH/c1-13(2)12-9(14)6-3-4-7(10)8(5-6)17(11,15)16;/h3-5H,1-2H3,(H,12,14)(H2,11,15,16);1H
InChIKeyREZFARSQQHXINZ-UHFFFAOYSA-N
XLogP0.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
3-amino-4-chloro-N',N'-dimethylbenzohydrazide
CID 83012713
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-3-sulfamoylbenzamide
CID 70598414
4-chloro-3-sulfamoyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79360203
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
4-amino-3-chloro-N',N'-dimethylbenzohydrazide
CID 83013508
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
5-[(N-but-2-enylanilino)carbamoyl]-2-chlorobenzenesulfonamide
CID 54398743
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
2-chloro-5-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4845850
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride (CID 174942395) is 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride is CN(C)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.Cl.
What is the InChIKey of 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride?
The InChIKey is REZFARSQQHXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S.ClH/c1-13(2)12-9(14)6-3-4-7(10)8(5-6)17(11,15)16;/h3-5H,1-2H3,(H,12,14)(H2,11,15,16);1H.
What are the key properties of 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride?
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride has a molecular weight of 314.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 174942395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).