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

C25H23FN4O6S2 — CID 58132515

IUPACN-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C25H23FN4O6S2/c1-14-4-9-21-19(11-14)22(18-3-2-10-28-24(18)31)23(25(32)29-38(35,36)16-5-6-16)30(21)13-15-12-17(37(27,33)34)7-8-20(15)26/h2-4,7-12,16H,5-6,13H2,1H3,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyUGEJYBKRKWCLMF-UHFFFAOYSA-N
MW558.61 g/mol
LogP2.36
Rot. Bonds7

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

N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132515) has the molecular formula C25H23FN4O6S2 and a molecular weight of 558.61 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132515
Molecular FormulaC25H23FN4O6S2
Molecular Weight558.61 g/mol
Exact Mass558.10
IUPAC NameN-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C25H23FN4O6S2/c1-14-4-9-21-19(11-14)22(18-3-2-10-28-24(18)31)23(25(32)29-38(35,36)16-5-6-16)30(21)13-15-12-17(37(27,33)34)7-8-20(15)26/h2-4,7-12,16H,5-6,13H2,1H3,(H,28,31)(H,29,32)(H2,27,33,34)
InChIKeyUGEJYBKRKWCLMF-UHFFFAOYSA-N
XLogP2.36
TPSA161.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.61
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 56593147
CID 56593147
CID 137400227
CID 137400227
CID 25226009
CID 25226009
CID 25226549
CID 25226549
CID 25227113
CID 25227113
CID 58132616
CID 58132616
CID 156012122
CID 156012122
CID 156013297
CID 156013297
CID 156015100
CID 156015100
CID 156016547
CID 156016547
CID 156020725
CID 156020725
CID 156021297
CID 156021297

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132515) is N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(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-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is UGEJYBKRKWCLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O6S2/c1-14-4-9-21-19(11-14)22(18-3-2-10-28-24(18)31)23(25(32)29-38(35,36)16-5-6-16)30(21)13-15-12-17(37(27,33)34)7-8-20(15)26/h2-4,7-12,16H,5-6,13H2,1H3,(H,28,31)(H,29,32)(H2,27,33,34).
What are the key properties of N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 558.61 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2-fluoro-5-sulfamoylphenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).