4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C24H20ClN5O3S — CID 36517163

IUPAC4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H20ClN5O3S/c25-21-10-7-19(13-23(21)34(32,33)30-12-11-18-3-1-2-4-22(18)30)24(31)28-20-8-5-17(6-9-20)14-29-16-26-15-27-29/h1-10,13,15-16H,11-12,14H2,(H,28,31)
InChIKeyRHGRSAYBXXFDLW-UHFFFAOYSA-N
MW493.98 g/mol
LogP3.98
Rot. Bonds6

About 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 36517163) has the molecular formula C24H20ClN5O3S and a molecular weight of 493.98 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID36517163
Molecular FormulaC24H20ClN5O3S
Molecular Weight493.98 g/mol
Exact Mass493.10
IUPAC Name4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H20ClN5O3S/c25-21-10-7-19(13-23(21)34(32,33)30-12-11-18-3-1-2-4-22(18)30)24(31)28-20-8-5-17(6-9-20)14-29-16-26-15-27-29/h1-10,13,15-16H,11-12,14H2,(H,28,31)
InChIKeyRHGRSAYBXXFDLW-UHFFFAOYSA-N
XLogP3.98
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.98
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 36517163) is 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is RHGRSAYBXXFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3S/c25-21-10-7-19(13-23(21)34(32,33)30-12-11-18-3-1-2-4-22(18)30)24(31)28-20-8-5-17(6-9-20)14-29-16-26-15-27-29/h1-10,13,15-16H,11-12,14H2,(H,28,31).
What are the key properties of 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 493.98 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 36517163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).