N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide

C16H9ClN4O2S — CID 139366202

IUPACN-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H9ClN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H
InChIKeyWKZDVIQEAQDIDY-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.37
Rot. Bonds3

About N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide

N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide (PubChem CID 139366202) has the molecular formula C16H9ClN4O2S and a molecular weight of 356.79 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide
PubChem CID139366202
Molecular FormulaC16H9ClN4O2S
Molecular Weight356.79 g/mol
Exact Mass356.01
IUPAC NameN-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1
InChIInChI=1S/C16H9ClN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H
InChIKeyWKZDVIQEAQDIDY-UHFFFAOYSA-N
XLogP3.37
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indisulam
CID 216468
E 7820
CID 196970
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66803474
N-(1-(1H-indol-3-yl)propan-2-yl)-3-chloro-2-methylbenzenesulfonamide
CID 10090072
N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
N-[2-chloro-5-(1H-indol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 25267023
N-(3-Chloro-1H-indol-7-yl)-4-sulfinamoyl-benzenesulfonamide
CID 44392389
N-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-3-methylbenzenesulfonamide
CID 56944864
4-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide
CID 56945042
3-chloro-N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]benzenesulfonamide
CID 56945043

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide (CID 139366202) is N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c3c(C#N)c[nH]c23)c1.
What is the InChIKey of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide?
The InChIKey is WKZDVIQEAQDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O2S/c17-13-4-5-14(16-15(13)11(8-19)9-20-16)21-24(22,23)12-3-1-2-10(6-12)7-18/h1-6,9,20-21H.
What are the key properties of N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide?
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide has a molecular weight of 356.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-1H-indol-7-yl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 139366202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).