2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide

C17H15ClN2O3S — CID 21316638

IUPAC2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
SMILESCc1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc2n1C
InChIInChI=1S/C17H15ClN2O3S/c1-10-16(12-5-3-4-6-14(12)20(10)2)17(21)11-7-8-13(18)15(9-11)24(19,22)23/h3-9H,1-2H3,(H2,19,22,23)
InChIKeyWNPHSKYOYVSMHU-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide

2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide (PubChem CID 21316638) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
PubChem CID21316638
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
SMILESCc1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc2n1C
InChIInChI=1S/C17H15ClN2O3S/c1-10-16(12-5-3-4-6-14(12)20(10)2)17(21)11-7-8-13(18)15(9-11)24(19,22)23/h3-9H,1-2H3,(H2,19,22,23)
InChIKeyWNPHSKYOYVSMHU-UHFFFAOYSA-N
XLogP3.02
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(1,2-dimethylindole-3-carbonyl)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 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide (CID 21316638) is 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide is Cc1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c2ccccc2n1C.
What is the InChIKey of 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide?
The InChIKey is WNPHSKYOYVSMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-10-16(12-5-3-4-6-14(12)20(10)2)17(21)11-7-8-13(18)15(9-11)24(19,22)23/h3-9H,1-2H3,(H2,19,22,23).
What are the key properties of 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide?
2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide is sourced from PubChem (CID 21316638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).