1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene

C8H12ClN3O2S — CID 28787801

IUPAC1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C8H12ClN3O2S/c1-12(2)15(13,14)11-8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3
InChIKeyPHENCYSKRGQWFV-UHFFFAOYSA-N
MW249.72 g/mol
LogP1.14
Rot. Bonds3

About 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene

1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene (PubChem CID 28787801) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
PubChem CID28787801
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC Name1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene
SMILESCN(C)S(=O)(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C8H12ClN3O2S/c1-12(2)15(13,14)11-8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3
InChIKeyPHENCYSKRGQWFV-UHFFFAOYSA-N
XLogP1.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(dimethylsulfamoylamino)-1-methylbenzene
CID 4635582
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
CID 114804191
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
3-(2,4-dichloroanilino)-6-(dimethylsulfamoylamino)pyridazine
CID 113050806
1-amino-2-bromo-4-(dimethylsulfamoylamino)benzene
CID 82862036
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
N-(2-amino-5-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43344144
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
N-(2-amino-5-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454311

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene (CID 28787801) is 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene is CN(C)S(=O)(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene?
The InChIKey is PHENCYSKRGQWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-12(2)15(13,14)11-8-5-6(9)3-4-7(8)10/h3-5,11H,10H2,1-2H3.
What are the key properties of 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene?
1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene has a molecular weight of 249.72 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-chloro-2-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 28787801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).