N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C26H25FN4O6S2 — CID 58132744

IUPACN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C26H25FN4O6S2/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-39(36,37)17-6-7-17)31(22)14-16-13-18(38(28,34)35)8-9-21(16)27/h3-5,8-13,17H,2,6-7,14H2,1H3,(H,29,32)(H,30,33)(H2,28,34,35)
InChIKeyALIWJYPLDBXFNH-UHFFFAOYSA-N
MW572.64 g/mol
LogP2.62
Rot. Bonds8

About N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132744) has the molecular formula C26H25FN4O6S2 and a molecular weight of 572.64 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132744
Molecular FormulaC26H25FN4O6S2
Molecular Weight572.64 g/mol
Exact Mass572.12
IUPAC NameN-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C26H25FN4O6S2/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-39(36,37)17-6-7-17)31(22)14-16-13-18(38(28,34)35)8-9-21(16)27/h3-5,8-13,17H,2,6-7,14H2,1H3,(H,29,32)(H,30,33)(H2,28,34,35)
InChIKeyALIWJYPLDBXFNH-UHFFFAOYSA-N
XLogP2.62
TPSA161.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.64
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132744) is N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is ALIWJYPLDBXFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O6S2/c1-2-15-5-10-22-20(12-15)23(19-4-3-11-29-25(19)32)24(26(33)30-39(36,37)17-6-7-17)31(22)14-16-13-18(38(28,34)35)8-9-21(16)27/h3-5,8-13,17H,2,6-7,14H2,1H3,(H,29,32)(H,30,33)(H2,28,34,35).
What are the key properties of N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 572.64 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).