N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

C18H19ClN2O3S — CID 22518825

IUPACN-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H19ClN2O3S/c1-18(2)15-10-14(8-9-16(15)21(3)17(18)22)25(23,24)20-11-12-4-6-13(19)7-5-12/h4-10,20H,11H2,1-3H3
InChIKeyWEIBRDIAZNBOQK-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.07
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide

N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (PubChem CID 22518825) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
PubChem CID22518825
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C18H19ClN2O3S/c1-18(2)15-10-14(8-9-16(15)21(3)17(18)22)25(23,24)20-11-12-4-6-13(19)7-5-12/h4-10,20H,11H2,1-3H3
InChIKeyWEIBRDIAZNBOQK-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide (CID 22518825) is N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
The InChIKey is WEIBRDIAZNBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-18(2)15-10-14(8-9-16(15)21(3)17(18)22)25(23,24)20-11-12-4-6-13(19)7-5-12/h4-10,20H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide?
N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-2-oxoindole-5-sulfonamide is sourced from PubChem (CID 22518825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).