N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

C19H22N2O3S — CID 25417077

IUPACN-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)14-5-7-15(8-6-14)20-25(23,24)16-9-10-17-13(11-16)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyOQPKTDUDAJCEJV-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.30
Rot. Bonds3

About N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 25417077) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID25417077
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)14-5-7-15(8-6-14)20-25(23,24)16-9-10-17-13(11-16)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3
InChIKeyOQPKTDUDAJCEJV-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110601933
1-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 24602618
N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113009560
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
CID 110350539
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
1-methyl-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)-2-oxo-3H-indole-5-sulfonamide
CID 110406005
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 24602602

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 25417077) is N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is OQPKTDUDAJCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2,3)14-5-7-15(8-6-14)20-25(23,24)16-9-10-17-13(11-16)12-18(22)21(17)4/h5-11,20H,12H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 25417077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).