N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide

C16H17ClN2O3S — CID 26965668

IUPACN-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)16(20)18-12-7-9-13(10-8-12)19-23(21,22)15-6-4-3-5-14(15)17/h3-11,19H,1-2H3,(H,18,20)
InChIKeyCWMKTOROJIIYJG-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 26965668) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID26965668
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11(2)16(20)18-12-7-9-13(10-8-12)19-23(21,22)15-6-4-3-5-14(15)17/h3-11,19H,1-2H3,(H,18,20)
InChIKeyCWMKTOROJIIYJG-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-chlorobenzenesulfonamide
CID 110369728
2-chloro-N-[4-(2-sulfanylacetyl)phenyl]benzenesulfonamide
CID 87732153
(2R)-2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 59136405
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2-chloro-N-[4-(2-chloroethyl)phenyl]benzenesulfonamide
CID 65031108
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide (CID 26965668) is N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is CWMKTOROJIIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11(2)16(20)18-12-7-9-13(10-8-12)19-23(21,22)15-6-4-3-5-14(15)17/h3-11,19H,1-2H3,(H,18,20).
What are the key properties of N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 352.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 26965668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).