6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

C21H19ClF2N4O2S — CID 46937974

IUPAC6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(CC2CC2)c2cc(Cl)ccc12
InChIInChI=1S/C21H19ClF2N4O2S/c22-14-3-5-17-18(10-25)21(28(20(17)7-14)12-13-1-2-13)19-6-4-16(11-26-19)31(29,30)27-15(8-23)9-24/h3-7,11,13,15,27H,1-2,8-9,12H2
InChIKeyGXFVGRYKWVQFIH-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.22
Rot. Bonds8

About 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide

6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 46937974) has the molecular formula C21H19ClF2N4O2S and a molecular weight of 464.93 g/mol. Its IUPAC name is 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID46937974
Molecular FormulaC21H19ClF2N4O2S
Molecular Weight464.93 g/mol
Exact Mass464.09
IUPAC Name6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(CC2CC2)c2cc(Cl)ccc12
InChIInChI=1S/C21H19ClF2N4O2S/c22-14-3-5-17-18(10-25)21(28(20(17)7-14)12-13-1-2-13)19-6-4-16(11-26-19)31(29,30)27-15(8-23)9-24/h3-7,11,13,15,27H,1-2,8-9,12H2
InChIKeyGXFVGRYKWVQFIH-UHFFFAOYSA-N
XLogP4.22
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide 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

2-amino-4,6-dichloro-N-[(2S)-1-(3-cyanoindol-1-yl)butan-2-yl]benzenesulfonamide
CID 25205477
US9974785, Example 6
CID 118654354
US9974785, Example 3
CID 118654432
2-(3-Benzenesulfonyl-6-chloro-indol-1-yl)-ethylamine
CID 10088284
1-(3-Chloro-benzenesulfonyl)-3-piperidin-3-yl-1H-indole
CID 10270799
1-(3-Chlorophenyl)sulfonyl-4-piperazin-1-ylindole-5-carbonitrile
CID 17978376
3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
CID 25024924
3-Chloro-1-(2,4-difluoro benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-indole
CID 25024928
4-[6-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 44388950
4-(6-Chloro-3-piperidin-4-yl-indole-1-sulfonyl)-phenylamine
CID 44388956
6-(3-cyano-1-cyclobutyl-6-cyclopropyl-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46937631
6-(3-cyano-1-cyclobutyl-5-cyclopropyl-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46937682

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide (CID 46937974) is 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is N#Cc1c(-c2ccc(S(=O)(=O)NC(CF)CF)cn2)n(CC2CC2)c2cc(Cl)ccc12.
What is the InChIKey of 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GXFVGRYKWVQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O2S/c22-14-3-5-17-18(10-25)21(28(20(17)7-14)12-13-1-2-13)19-6-4-16(11-26-19)31(29,30)27-15(8-23)9-24/h3-7,11,13,15,27H,1-2,8-9,12H2.
What are the key properties of 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide?
6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 464.93 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-3-cyano-1-(cyclopropylmethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46937974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).