4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine

C9H12ClN3O2S — CID 114804566

IUPAC4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine
SMILESNc1ccc(Cl)c(NS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H12ClN3O2S/c10-8-4-1-6(11)5-9(8)13-16(14,15)12-7-2-3-7/h1,4-5,7,12-13H,2-3,11H2
InChIKeyHWCZZPMZPXYWEZ-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.33
Rot. Bonds4

About 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine

4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine (PubChem CID 114804566) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine
PubChem CID114804566
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine
SMILESNc1ccc(Cl)c(NS(=O)(=O)NC2CC2)c1
InChIInChI=1S/C9H12ClN3O2S/c10-8-4-1-6(11)5-9(8)13-16(14,15)12-7-2-3-7/h1,4-5,7,12-13H,2-3,11H2
InChIKeyHWCZZPMZPXYWEZ-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine
CID 114804234
2-chloro-5-(cyclopropylsulfamoylamino)phenol
CID 114809187
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114804253
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
2-(5-amino-2-chloroanilino)benzenesulfonamide
CID 54903074
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine?
The IUPAC name of 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine (CID 114804566) is 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine is Nc1ccc(Cl)c(NS(=O)(=O)NC2CC2)c1.
What is the InChIKey of 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine?
The InChIKey is HWCZZPMZPXYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-8-4-1-6(11)5-9(8)13-16(14,15)12-7-2-3-7/h1,4-5,7,12-13H,2-3,11H2.
What are the key properties of 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine?
4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine has a molecular weight of 261.73 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-N-(cyclopropylsulfamoyl)benzene-1,3-diamine is sourced from PubChem (CID 114804566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).