[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

C21H24N2O3S — CID 1158035

IUPAC[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(23-16-13-17-7-3-4-8-20(17)23)18-9-11-19(12-10-18)27(25,26)22-14-5-1-2-6-15-22/h3-4,7-12H,1-2,5-6,13-16H2
InChIKeyRQOXNZKFQWXQQY-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.45
Rot. Bonds3

About [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone

[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 1158035) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID1158035
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(23-16-13-17-7-3-4-8-20(17)23)18-9-11-19(12-10-18)27(25,26)22-14-5-1-2-6-15-22/h3-4,7-12H,1-2,5-6,13-16H2
InChIKeyRQOXNZKFQWXQQY-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2128055
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
4-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 55438572
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
3,4-dihydro-2H-quinolin-1-yl-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]methanone
CID 7092245
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-5-yl-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 42959888
4-(2,3-dihydroindole-1-carbonyl)-N-(2-methylphenyl)benzenesulfonamide
CID 26681045
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 1158035) is [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCc2ccccc21.
What is the InChIKey of [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RQOXNZKFQWXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21(23-16-13-17-7-3-4-8-20(17)23)18-9-11-19(12-10-18)27(25,26)22-14-5-1-2-6-15-22/h3-4,7-12H,1-2,5-6,13-16H2.
What are the key properties of [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 1158035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).