1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C18H19ClN2O4S — CID 15996791

IUPAC1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O
InChIInChI=1S/C18H19ClN2O4S/c1-11-8-13-9-15(5-6-17(13)21(11)12(2)22)26(23,24)20-16-10-14(19)4-7-18(16)25-3/h4-7,9-11,20H,8H2,1-3H3
InChIKeyYINAHAWEGFHDQM-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.45
Rot. Bonds4

About 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15996791) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15996791
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O
InChIInChI=1S/C18H19ClN2O4S/c1-11-8-13-9-15(5-6-17(13)21(11)12(2)22)26(23,24)20-16-10-14(19)4-7-18(16)25-3/h4-7,9-11,20H,8H2,1-3H3
InChIKeyYINAHAWEGFHDQM-UHFFFAOYSA-N
XLogP3.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911710
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
1-acetyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 74658277
1-(3-chlorobenzoyl)-N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248241
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
1-acetyl-N-(5-bromo-1-methyl-4-oxo-3-pyridinyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 75451751
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 20853305
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 15996791) is 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O.
What is the InChIKey of 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is YINAHAWEGFHDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-11-8-13-9-15(5-6-17(13)21(11)12(2)22)26(23,24)20-16-10-14(19)4-7-18(16)25-3/h4-7,9-11,20H,8H2,1-3H3.
What are the key properties of 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-chloro-2-methoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15996791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).