4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide

C15H16N2O4S2 — CID 134034304

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H16N2O4S2/c1-16-22(18,19)13-6-8-14(9-7-13)23(20,21)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3
InChIKeyHQRIYPCIIJFPHB-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.35
Rot. Bonds4

About 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide

4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide (PubChem CID 134034304) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
PubChem CID134034304
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C15H16N2O4S2/c1-16-22(18,19)13-6-8-14(9-7-13)23(20,21)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3
InChIKeyHQRIYPCIIJFPHB-UHFFFAOYSA-N
XLogP1.35
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-3-phenylurea
CID 1150802
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
N-methyl-1-(4-propylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 47784402
1-(2-chlorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784424
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide (CID 134034304) is 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide?
The InChIKey is HQRIYPCIIJFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-16-22(18,19)13-6-8-14(9-7-13)23(20,21)17-11-10-12-4-2-3-5-15(12)17/h2-9,16H,10-11H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide has a molecular weight of 352.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 134034304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).