N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

C14H20N2O3S — CID 56687358

IUPACN-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O3S/c1-5-9(2)16-20(18,19)10-6-7-12-11(8-10)14(3,4)13(17)15-12/h6-9,16H,5H2,1-4H3,(H,15,17)
InChIKeyVNGJJISUJWCCRD-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.99
Rot. Bonds4

About N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 56687358) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID56687358
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C14H20N2O3S/c1-5-9(2)16-20(18,19)10-6-7-12-11(8-10)14(3,4)13(17)15-12/h6-9,16H,5H2,1-4H3,(H,15,17)
InChIKeyVNGJJISUJWCCRD-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 41098440
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
CID 167808491
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
5-[1-(ethylamino)propyl]-3,3-dimethyl-1H-indol-2-one
CID 80500330
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921822

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 56687358) is N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is CCC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is VNGJJISUJWCCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-9(2)16-20(18,19)10-6-7-12-11(8-10)14(3,4)13(17)15-12/h6-9,16H,5H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 56687358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).