4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide

C18H16ClN3O2S — CID 58693995

IUPAC4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide
SMILESCCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2S/c1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2/h4-10,21H,3H2,1-2H3
InChIKeyXJIXVAZCWHXVNO-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.76
Rot. Bonds4

About 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide

4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide (PubChem CID 58693995) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide
PubChem CID58693995
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide
SMILESCCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2S/c1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2/h4-10,21H,3H2,1-2H3
InChIKeyXJIXVAZCWHXVNO-UHFFFAOYSA-N
XLogP3.76
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide (CID 58693995) is 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide is CCn1c(-c2ccc(S(=O)(=O)NC)cc2)c(C#N)c2cc(Cl)ccc21.
What is the InChIKey of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is XJIXVAZCWHXVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-3-22-17-9-6-13(19)10-15(17)16(11-20)18(22)12-4-7-14(8-5-12)25(23,24)21-2/h4-10,21H,3H2,1-2H3.
What are the key properties of 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide?
4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 373.87 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-cyano-1-ethylindol-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 58693995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).