5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one

C19H15ClN2O3S — CID 164666814

IUPAC5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one
SMILESCc1ccc(S(=O)(=O)C2(n3cccc3)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-13-4-7-15(8-5-13)26(24,25)19(22-10-2-3-11-22)16-12-14(20)6-9-17(16)21-18(19)23/h2-12H,1H3,(H,21,23)
InChIKeyHPBNANFGUJNKPA-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.58
Rot. Bonds3

About 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one

5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one (PubChem CID 164666814) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one
PubChem CID164666814
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC Name5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one
SMILESCc1ccc(S(=O)(=O)C2(n3cccc3)C(=O)Nc3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H15ClN2O3S/c1-13-4-7-15(8-5-13)26(24,25)19(22-10-2-3-11-22)16-12-14(20)6-9-17(16)21-18(19)23/h2-12H,1H3,(H,21,23)
InChIKeyHPBNANFGUJNKPA-UHFFFAOYSA-N
XLogP3.58
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956370
(2'S,3S)-2'-[1-(benzenesulfonyl)pyrrol-2-yl]-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956371
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
(3R)-5-chloro-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 957686
1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazocine
CID 12641448
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081
(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 15956368
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921
N-[3-(6-chloro-4,4-dimethyl-2,3-dihydro-1H-quinolin-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 56966429
5-chloro-2'-naphthalen-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 71200943
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
2-(2,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3-propylaziridine
CID 132554336

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one?
The IUPAC name of 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one (CID 164666814) is 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one is Cc1ccc(S(=O)(=O)C2(n3cccc3)C(=O)Nc3ccc(Cl)cc32)cc1.
What is the InChIKey of 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one?
The InChIKey is HPBNANFGUJNKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-13-4-7-15(8-5-13)26(24,25)19(22-10-2-3-11-22)16-12-14(20)6-9-17(16)21-18(19)23/h2-12H,1H3,(H,21,23).
What are the key properties of 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one?
5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one has a molecular weight of 386.86 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylphenyl)sulfonyl-3-pyrrol-1-yl-1H-indol-2-one is sourced from PubChem (CID 164666814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).