4-chloro-N-(propan-2-ylsulfamoyl)aniline

C9H13ClN2O2S — CID 53472073

IUPAC4-chloro-N-(propan-2-ylsulfamoyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O2S/c1-7(2)11-15(13,14)12-9-5-3-8(10)4-6-9/h3-7,11-12H,1-2H3
InChIKeyNDACEJBHMPPZLN-UHFFFAOYSA-N
MW248.74 g/mol
LogP1.99
Rot. Bonds4

About 4-chloro-N-(propan-2-ylsulfamoyl)aniline

4-chloro-N-(propan-2-ylsulfamoyl)aniline (PubChem CID 53472073) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.74 g/mol. Its IUPAC name is 4-chloro-N-(propan-2-ylsulfamoyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(propan-2-ylsulfamoyl)aniline
PubChem CID53472073
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.74 g/mol
Exact Mass248.04
IUPAC Name4-chloro-N-(propan-2-ylsulfamoyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H13ClN2O2S/c1-7(2)11-15(13,14)12-9-5-3-8(10)4-6-9/h3-7,11-12H,1-2H3
InChIKeyNDACEJBHMPPZLN-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-(propan-2-ylamino)phenyl]benzenesulfonamide
CID 112979886
4-bromo-3-fluoro-N-(propan-2-ylsulfamoyl)aniline
CID 114808831
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
CID 79585905
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
5-(propan-2-ylsulfamoylamino)pyridine-2-carboxylic acid
CID 114806806
4-chloro-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985139
3-[4-chloro-2-(propan-2-ylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811993
4-chloro-N-propan-2-ylaniline;hydrochloride
CID 18349750
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(propan-2-ylsulfamoyl)aniline?
The IUPAC name of 4-chloro-N-(propan-2-ylsulfamoyl)aniline (CID 53472073) is 4-chloro-N-(propan-2-ylsulfamoyl)aniline.
What is the SMILES notation for 4-chloro-N-(propan-2-ylsulfamoyl)aniline?
The canonical SMILES for 4-chloro-N-(propan-2-ylsulfamoyl)aniline is CC(C)NS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(propan-2-ylsulfamoyl)aniline?
The InChIKey is NDACEJBHMPPZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-7(2)11-15(13,14)12-9-5-3-8(10)4-6-9/h3-7,11-12H,1-2H3.
What are the key properties of 4-chloro-N-(propan-2-ylsulfamoyl)aniline?
4-chloro-N-(propan-2-ylsulfamoyl)aniline has a molecular weight of 248.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(propan-2-ylsulfamoyl)aniline is sourced from PubChem (CID 53472073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).