N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide

C19H22N2O4S — CID 178047850

IUPACN-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)C(O)(c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-12-5-10-16-15(11-12)19(23,17(22)20-16)13-6-8-14(9-7-13)26(24,25)21-18(2,3)4/h5-11,21,23H,1-4H3,(H,20,22)
InChIKeyRKFXNTBLASCNMY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.26
Rot. Bonds3

About N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide

N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide (PubChem CID 178047850) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
PubChem CID178047850
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
SMILESCc1ccc2c(c1)C(O)(c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N2
InChIInChI=1S/C19H22N2O4S/c1-12-5-10-16-15(11-12)19(23,17(22)20-16)13-6-8-14(9-7-13)26(24,25)21-18(2,3)4/h5-11,21,23H,1-4H3,(H,20,22)
InChIKeyRKFXNTBLASCNMY-UHFFFAOYSA-N
XLogP2.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-(3-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 178047977
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
N-[5-(1,3-benzodioxol-5-yl)-2-methylpentan-2-yl]-4-(3-hydroxy-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 171797106
4-[1-[(4-bromophenyl)methyl]-5-chloro-3-hydroxy-2-oxoindol-3-yl]-N-tert-butylbenzenesulfonamide
CID 178048080
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068
2-N,7-N-ditert-butyl-9-oxofluorene-2,7-disulfonamide
CID 1121755
[2-(tert-butylsulfamoyl)-5-methylphenyl]boronic acid
CID 54758870
[2-(tert-butylsulfamoyl)-4-methylphenyl]boronic acid
CID 163342481
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055
N-tert-butyl-4-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 53219213
4-[1-(1,3-benzoxazol-6-ylmethyl)-3-hydroxy-2-oxoindol-3-yl]-N-tert-butylbenzenesulfonamide;ethane
CID 178048108

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide (CID 178047850) is N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide is Cc1ccc2c(c1)C(O)(c1ccc(S(=O)(=O)NC(C)(C)C)cc1)C(=O)N2.
What is the InChIKey of N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
The InChIKey is RKFXNTBLASCNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12-5-10-16-15(11-12)19(23,17(22)20-16)13-6-8-14(9-7-13)26(24,25)21-18(2,3)4/h5-11,21,23H,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide?
N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide is sourced from PubChem (CID 178047850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).