5-chloro-2-(propan-2-ylamino)benzenesulfonamide

C9H13ClN2O2S — CID 44590434

IUPAC5-chloro-2-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-8-4-3-7(10)5-9(8)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyGQLNZSKBPXCQAD-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.81
Rot. Bonds3

About 5-chloro-2-(propan-2-ylamino)benzenesulfonamide

5-chloro-2-(propan-2-ylamino)benzenesulfonamide (PubChem CID 44590434) has the molecular formula C9H13ClN2O2S and a molecular weight of 248.73 g/mol. Its IUPAC name is 5-chloro-2-(propan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(propan-2-ylamino)benzenesulfonamide
PubChem CID44590434
Molecular FormulaC9H13ClN2O2S
Molecular Weight248.73 g/mol
Exact Mass248.04
IUPAC Name5-chloro-2-(propan-2-ylamino)benzenesulfonamide
SMILESCC(C)Nc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C9H13ClN2O2S/c1-6(2)12-8-4-3-7(10)5-9(8)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyGQLNZSKBPXCQAD-UHFFFAOYSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(propan-2-ylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propan-2-ylamino)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(propan-2-ylamino)benzenesulfonamide (CID 44590434) is 5-chloro-2-(propan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(propan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(propan-2-ylamino)benzenesulfonamide is CC(C)Nc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-(propan-2-ylamino)benzenesulfonamide?
The InChIKey is GQLNZSKBPXCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2S/c1-6(2)12-8-4-3-7(10)5-9(8)15(11,13)14/h3-6,12H,1-2H3,(H2,11,13,14).
What are the key properties of 5-chloro-2-(propan-2-ylamino)benzenesulfonamide?
5-chloro-2-(propan-2-ylamino)benzenesulfonamide has a molecular weight of 248.73 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 44590434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).