N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

C16H15ClN2O3S — CID 110384518

IUPACN-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O3S/c1-16(2)11-9-10(7-8-13(11)18-15(16)20)23(21,22)19-14-6-4-3-5-12(14)17/h3-9,19H,1-2H3,(H,18,20)
InChIKeyCMCKYRPLYFRARW-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.37
Rot. Bonds3

About N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide

N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (PubChem CID 110384518) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
PubChem CID110384518
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21
InChIInChI=1S/C16H15ClN2O3S/c1-16(2)11-9-10(7-8-13(11)18-15(16)20)23(21,22)19-14-6-4-3-5-12(14)17/h3-9,19H,1-2H3,(H,18,20)
InChIKeyCMCKYRPLYFRARW-UHFFFAOYSA-N
XLogP3.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
CID 154863606
3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
CID 167808491
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126795705

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide (CID 110384518) is N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc21.
What is the InChIKey of N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is CMCKYRPLYFRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c1-16(2)11-9-10(7-8-13(11)18-15(16)20)23(21,22)19-14-6-4-3-5-12(14)17/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide?
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 110384518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).