5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide

C16H15N3O3S — CID 11336440

IUPAC5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)c3[nH]ccc3c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)
InChIKeyBQWHIFFLANBUPP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.31
Rot. Bonds4

About 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide

5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide (PubChem CID 11336440) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide
PubChem CID11336440
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)c3[nH]ccc3c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20)
InChIKeyBQWHIFFLANBUPP-UHFFFAOYSA-N
XLogP2.31
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide?
The IUPAC name of 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide (CID 11336440) is 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide?
The canonical SMILES for 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide is CS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)c3[nH]ccc3c2)cc1.
What is the InChIKey of 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide?
The InChIKey is BQWHIFFLANBUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-23(21,22)19-13-4-2-10(3-5-13)12-8-11-6-7-18-15(11)14(9-12)16(17)20/h2-9,18-19H,1H3,(H2,17,20).
What are the key properties of 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide?
5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methanesulfonamido)phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 11336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).