1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide

C24H19F3N4O4S2 — CID 24948485

IUPAC1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2[nH]1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C24H19F3N4O4S2/c25-24(26,27)17-9-6-12-20-23(17)21(15-31(20)37(34,35)16-7-2-1-3-8-16)36(32,33)28-14-13-22-29-18-10-4-5-11-19(18)30-22/h1-12,15,28H,13-14H2,(H,29,30)
InChIKeyIGUZMSNKGMXJFH-UHFFFAOYSA-N
MW548.57 g/mol
LogP4.29
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide

1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide (PubChem CID 24948485) has the molecular formula C24H19F3N4O4S2 and a molecular weight of 548.57 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide
PubChem CID24948485
Molecular FormulaC24H19F3N4O4S2
Molecular Weight548.57 g/mol
Exact Mass548.08
IUPAC Name1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide
SMILESO=S(=O)(NCCc1nc2ccccc2[nH]1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C24H19F3N4O4S2/c25-24(26,27)17-9-6-12-20-23(17)21(15-31(20)37(34,35)16-7-2-1-3-8-16)36(32,33)28-14-13-22-29-18-10-4-5-11-19(18)30-22/h1-12,15,28H,13-14H2,(H,29,30)
InChIKeyIGUZMSNKGMXJFH-UHFFFAOYSA-N
XLogP4.29
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide (CID 24948485) is 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide is O=S(=O)(NCCc1nc2ccccc2[nH]1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide?
The InChIKey is IGUZMSNKGMXJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4S2/c25-24(26,27)17-9-6-12-20-23(17)21(15-31(20)37(34,35)16-7-2-1-3-8-16)36(32,33)28-14-13-22-29-18-10-4-5-11-19(18)30-22/h1-12,15,28H,13-14H2,(H,29,30).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide?
1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide has a molecular weight of 548.57 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(trifluoromethyl)indole-3-sulfonamide is sourced from PubChem (CID 24948485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).