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

C21H24N2O3S — CID 1202064

IUPAC[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(23-15-12-17-8-3-4-11-20(17)23)18-9-7-10-19(16-18)27(25,26)22-13-5-1-2-6-14-22/h3-4,7-11,16H,1-2,5-6,12-15H2
InChIKeyHMQXVXJMXPWACC-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.45
Rot. Bonds3

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

[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 1202064) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID1202064
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3S/c24-21(23-15-12-17-8-3-4-11-20(17)23)18-9-7-10-19(16-18)27(25,26)22-13-5-1-2-6-14-22/h3-4,7-11,16H,1-2,5-6,12-15H2
InChIKeyHMQXVXJMXPWACC-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

[4-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1158035
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
CID 9093988
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
(3-methoxyphenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17418564
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 26290539
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
2,3-dihydroindol-1-yl-(2-piperidin-1-ylsulfonylphenyl)methanone
CID 31289185
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone (CID 1202064) is [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCc2ccccc21.
What is the InChIKey of [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is HMQXVXJMXPWACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-21(23-15-12-17-8-3-4-11-20(17)23)18-9-7-10-19(16-18)27(25,26)22-13-5-1-2-6-14-22/h3-4,7-11,16H,1-2,5-6,12-15H2.
What are the key properties of [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone?
[3-(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 [3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 1202064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).