N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide

C13H20N2O2S — CID 62693554

IUPACN-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H20N2O2S/c1-3-10(2)9-15-18(16,17)12-4-5-13-11(8-12)6-7-14-13/h4-5,8,10,14-15H,3,6-7,9H2,1-2H3
InChIKeyLVVXDEHXZUUKPV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.98
Rot. Bonds5

About N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 62693554) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID62693554
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C13H20N2O2S/c1-3-10(2)9-15-18(16,17)12-4-5-13-11(8-12)6-7-14-13/h4-5,8,10,14-15H,3,6-7,9H2,1-2H3
InChIKeyLVVXDEHXZUUKPV-UHFFFAOYSA-N
XLogP1.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940813
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 114418208
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
N-(2-ethylcyclopropyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114108612
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 60855529
N-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 93343039
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 62693554) is N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide is CCC(C)CNS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is LVVXDEHXZUUKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10(2)9-15-18(16,17)12-4-5-13-11(8-12)6-7-14-13/h4-5,8,10,14-15H,3,6-7,9H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 62693554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).