5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide

C21H15ClN2O4S2 — CID 66850404

IUPAC5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccc(-c2c[nH]c3cc(C(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)ccc23)s1
InChIInChI=1S/C21H15ClN2O4S2/c1-11(25)18-6-7-19(29-18)15-10-24-17-8-12(2-4-14(15)17)21(26)13-3-5-16(22)20(9-13)30(23,27)28/h2-10,24H,1H3,(H2,23,27,28)
InChIKeyWPZTZUPHSXBPDW-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.63
Rot. Bonds5

About 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide

5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide (PubChem CID 66850404) has the molecular formula C21H15ClN2O4S2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide
PubChem CID66850404
Molecular FormulaC21H15ClN2O4S2
Molecular Weight458.95 g/mol
Exact Mass458.02
IUPAC Name5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide
SMILESCC(=O)c1ccc(-c2c[nH]c3cc(C(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)ccc23)s1
InChIInChI=1S/C21H15ClN2O4S2/c1-11(25)18-6-7-19(29-18)15-10-24-17-8-12(2-4-14(15)17)21(26)13-3-5-16(22)20(9-13)30(23,27)28/h2-10,24H,1H3,(H2,23,27,28)
InChIKeyWPZTZUPHSXBPDW-UHFFFAOYSA-N
XLogP4.63
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]propanamide
CID 44627073
2-[5-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyl-amino)-1H-indol-3-yl]-N,N-dimethyl-2-oxo-acetamide
CID 11190716
2-chloro-5-(3-phenyl-1H-indole-6-carbonyl)-benzenesulfonamide
CID 58107485
(E)-1-(4-chlorophenyl)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)methylsulfonyl]prop-2-en-1-one
CID 52945688
(E)-3-(5-chloro-1H-indol-3-yl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one
CID 118724707
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3565349
4-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 8000233
4-[3-(5-chlorothiophen-2-yl)indol-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 58975196
2-chloro-5-[3-(4-fluorophenyl)-1H-indole-6-carbonyl]benzenesulfonamide
CID 66851159
2-[[5-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]thiophene-2-carbonyl]amino]ethanesulfonic acid
CID 134265296
2-[[5-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]thiophene-2-carbonyl]amino]ethanesulfonic acid
CID 134265297
4-[5-[(1R,2S)-1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]thiophen-2-yl]-4-oxobutane-1-sulfonic acid
CID 152997774

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide?
The IUPAC name of 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide (CID 66850404) is 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide is CC(=O)c1ccc(-c2c[nH]c3cc(C(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)ccc23)s1.
What is the InChIKey of 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide?
The InChIKey is WPZTZUPHSXBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4S2/c1-11(25)18-6-7-19(29-18)15-10-24-17-8-12(2-4-14(15)17)21(26)13-3-5-16(22)20(9-13)30(23,27)28/h2-10,24H,1H3,(H2,23,27,28).
What are the key properties of 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide?
5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide has a molecular weight of 458.95 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-acetylthiophen-2-yl)-1H-indole-6-carbonyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 66850404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).