4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

C26H18ClFN2O3S2 — CID 58975196

IUPAC4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)s3)c3ccccc32)cc1
InChIInChI=1S/C26H18ClFN2O3S2/c27-25-14-13-24(34-25)22-16-30(23-4-2-1-3-21(22)23)35(32,33)20-11-7-18(8-12-20)26(31)29-15-17-5-9-19(28)10-6-17/h1-14,16H,15H2,(H,29,31)
InChIKeySPXTYJGJKXHZJR-UHFFFAOYSA-N
MW525.03 g/mol
LogP6.33
Rot. Bonds6

About 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide

4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 58975196) has the molecular formula C26H18ClFN2O3S2 and a molecular weight of 525.03 g/mol. Its IUPAC name is 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID58975196
Molecular FormulaC26H18ClFN2O3S2
Molecular Weight525.03 g/mol
Exact Mass524.04
IUPAC Name4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)s3)c3ccccc32)cc1
InChIInChI=1S/C26H18ClFN2O3S2/c27-25-14-13-24(34-25)22-16-30(23-4-2-1-3-21(22)23)35(32,33)20-11-7-18(8-12-20)26(31)29-15-17-5-9-19(28)10-6-17/h1-14,16H,15H2,(H,29,31)
InChIKeySPXTYJGJKXHZJR-UHFFFAOYSA-N
XLogP6.33
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.03
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
CID 22663231
N-(4-(phenylsulfonyl)benzyl)thieno[3,2-b]pyridine-2-carboxamide
CID 71818301
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 2372626
1-(3-(trifluoromethyl)benzyl)-N-(5-chlorothiophen-2-ylsulfonyl)-1H-indole-2-carboxamide
CID 44419357
N-[[5-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 44534366
N-(4,5-dichlorothiophen-2-ylsulfonyl)-3-(5-fluoro-1-(4-fluorobenzyl)-3-methyl-1H-indol-7-yl)acrylamide
CID 44570995
N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]propanamide
CID 44627073
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]prop-2-enamide
CID 44627829
N-(3,5-Dichloro-pyridin-4-yl)-3-ethyl-1-(toluene-4-sulphonyl)-1H-indole-6-carboxamide
CID 22663364
2,4-Difluoro-N-[2-chloro-5-[5-(2-methyl-1-oxoisoindolin-5-yl)thien-2-yl]pyridin-3-yl]benzenesulfonamide
CID 73295618
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-4-(thiophen-3-ylmethyl)benzamide
CID 67973784
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-((thiophen-2-ylmethylamino)methyl)benzamide
CID 67974003

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide (CID 58975196) is 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(-c3ccc(Cl)s3)c3ccccc32)cc1.
What is the InChIKey of 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is SPXTYJGJKXHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClFN2O3S2/c27-25-14-13-24(34-25)22-16-30(23-4-2-1-3-21(22)23)35(32,33)20-11-7-18(8-12-20)26(31)29-15-17-5-9-19(28)10-6-17/h1-14,16H,15H2,(H,29,31).
What are the key properties of 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide?
4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 525.03 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 58975196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).