N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide

C12H14N2O2S — CID 114418208

IUPACN-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H14N2O2S/c1-3-9(2)14-17(15,16)11-4-5-12-10(8-11)6-7-13-12/h1,4-5,8-9,13-14H,6-7H2,2H3
InChIKeyDNPVSAZBBGEYEJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.95
Rot. Bonds3

About N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide

N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 114418208) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID114418208
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
SMILESC#CC(C)NS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H14N2O2S/c1-3-9(2)14-17(15,16)11-4-5-12-10(8-11)6-7-13-12/h1,4-5,8-9,13-14H,6-7H2,2H3
InChIKeyDNPVSAZBBGEYEJ-UHFFFAOYSA-N
XLogP0.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 61477904
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61480854
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-but-3-yn-2-yl-3,4-difluorobenzenesulfonamide
CID 114419126
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 104828898
N-(3-methylcyclopentyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114548153
N-(2-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940814
N-but-3-yn-2-yl-4-methylbenzenesulfonamide
CID 101246920
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide (CID 114418208) is N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide is C#CC(C)NS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is DNPVSAZBBGEYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-9(2)14-17(15,16)11-4-5-12-10(8-11)6-7-13-12/h1,4-5,8-9,13-14H,6-7H2,2H3.
What are the key properties of N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide?
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 250.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 114418208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).