4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine

C9H12ClN3O2S — CID 114804234

IUPAC4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H12ClN3O2S/c10-6-1-4-9(8(11)5-6)13-16(14,15)12-7-2-3-7/h1,4-5,7,12-13H,2-3,11H2
InChIKeyPULMUHDCPVDTBT-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.33
Rot. Bonds4

About 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine

4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine (PubChem CID 114804234) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine
PubChem CID114804234
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H12ClN3O2S/c10-6-1-4-9(8(11)5-6)13-16(14,15)12-7-2-3-7/h1,4-5,7,12-13H,2-3,11H2
InChIKeyPULMUHDCPVDTBT-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-N-(cyclopropylsulfamoyl)benzene-1,3-diamine
CID 114804566
4-chloro-2-(cyclopropylsulfamoylamino)-N'-hydroxybenzenecarboximidamide
CID 114812354
N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
CID 28606569
4-chloro-3-(cyclopropylsulfamoylamino)benzenecarbothioamide
CID 114808498
2-amino-4-chloro-N-cyclobutylbenzenesulfonamide
CID 62415700
4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
4-chloro-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2-diamine
CID 43628743
2-(2-aminoethoxy)-N-(cyclopropylsulfamoyl)aniline
CID 114803489
4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
4-chloro-1-N-(1,1-dioxothiolan-3-yl)benzene-1,2-diamine
CID 43115448
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
4-(cyclopropylsulfamoylamino)-3-methoxybenzenecarbothioamide
CID 114808530

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine (CID 114804234) is 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine is Nc1cc(Cl)ccc1NS(=O)(=O)NC1CC1.
What is the InChIKey of 4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine?
The InChIKey is PULMUHDCPVDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-6-1-4-9(8(11)5-6)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-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine?
4-chloro-1-N-(cyclopropylsulfamoyl)benzene-1,2-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-1-N-(cyclopropylsulfamoyl)benzene-1,2-diamine is sourced from PubChem (CID 114804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).