4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide

C20H18ClN3O2S — CID 113031845

IUPAC4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)ccc1Cl
InChIInChI=1S/C20H18ClN3O2S/c1-14-12-17(7-8-18(14)21)27(25,26)23-20-9-6-16(13-22-20)24-11-10-15-4-2-3-5-19(15)24/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyLOFMBXDYAUSTKN-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.54
Rot. Bonds4

About 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide

4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide (PubChem CID 113031845) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
PubChem CID113031845
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)ccc1Cl
InChIInChI=1S/C20H18ClN3O2S/c1-14-12-17(7-8-18(14)21)27(25,26)23-20-9-6-16(13-22-20)24-11-10-15-4-2-3-5-19(15)24/h2-9,12-13H,10-11H2,1H3,(H,22,23)
InChIKeyLOFMBXDYAUSTKN-UHFFFAOYSA-N
XLogP4.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113031841
N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]butane-1-sulfonamide
CID 113031821
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113016633
4-chloro-3-methyl-N-[5-(propan-2-ylamino)-2-pyridinyl]benzenesulfonamide
CID 113023662
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113016641
4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113036671
4-chloro-N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]benzenesulfonamide
CID 113028146
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197861
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
4-chloro-3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027726
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide (CID 113031845) is 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)cn2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide?
The InChIKey is LOFMBXDYAUSTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-14-12-17(7-8-18(14)21)27(25,26)23-20-9-6-16(13-22-20)24-11-10-15-4-2-3-5-19(15)24/h2-9,12-13H,10-11H2,1H3,(H,22,23).
What are the key properties of 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide?
4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide has a molecular weight of 399.90 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2,3-dihydroindol-1-yl)-2-pyridinyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 113031845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).