N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide

C18H19ClN2O3S — CID 113094139

IUPACN-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cc1)C1CC1
InChIInChI=1S/C18H19ClN2O3S/c1-12-11-17(9-10-18(12)19)25(23,24)20-14-3-5-15(6-4-14)21(13(2)22)16-7-8-16/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyQYACNYKBJCHMSI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.96
Rot. Bonds5

About N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide

N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide (PubChem CID 113094139) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide
PubChem CID113094139
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide
SMILESCC(=O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cc1)C1CC1
InChIInChI=1S/C18H19ClN2O3S/c1-12-11-17(9-10-18(12)19)25(23,24)20-14-3-5-15(6-4-14)21(13(2)22)16-7-8-16/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyQYACNYKBJCHMSI-UHFFFAOYSA-N
XLogP3.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]acetamide
CID 113094117
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
N-cyclopropyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 113094143
4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-[4-[(2-methylphenyl)sulfonylamino]phenyl]-N-(oxan-4-yl)acetamide
CID 113094228
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
2-chloro-N-cyclooctyl-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 43016627

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide?
The IUPAC name of N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide (CID 113094139) is N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide is CC(=O)N(c1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cc1)C1CC1.
What is the InChIKey of N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide?
The InChIKey is QYACNYKBJCHMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12-11-17(9-10-18(12)19)25(23,24)20-14-3-5-15(6-4-14)21(13(2)22)16-7-8-16/h3-6,9-11,16,20H,7-8H2,1-2H3.
What are the key properties of N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide?
N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide has a molecular weight of 378.88 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]-N-cyclopropylacetamide is sourced from PubChem (CID 113094139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).