4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide

C17H17ClN2O3S — CID 113094726

IUPAC4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(N(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)19-14-6-8-15(9-7-14)20(16-10-11-16)17(21)12-2-4-13(18)5-3-12/h2-9,16,19H,10-11H2,1H3
InChIKeyDXJPXGXRGRNWSO-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.52
Rot. Bonds5

About 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide

4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide (PubChem CID 113094726) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
PubChem CID113094726
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(N(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C17H17ClN2O3S/c1-24(22,23)19-14-6-8-15(9-7-14)20(16-10-11-16)17(21)12-2-4-13(18)5-3-12/h2-9,16,19H,10-11H2,1H3
InChIKeyDXJPXGXRGRNWSO-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094703
N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]oxolane-2-carboxamide
CID 113094693
2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
CID 113095079
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
CID 113095104
N-[4-(methanesulfonamido)phenyl]-N-(oxan-4-yl)propanamide
CID 113094770
3,4-difluoro-N-[4-(methanesulfonamido)phenyl]-N-methylbenzamide
CID 113094625
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide (CID 113094726) is 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide is CS(=O)(=O)Nc1ccc(N(C(=O)c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide?
The InChIKey is DXJPXGXRGRNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-24(22,23)19-14-6-8-15(9-7-14)20(16-10-11-16)17(21)12-2-4-13(18)5-3-12/h2-9,16,19H,10-11H2,1H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide?
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide has a molecular weight of 364.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 113094726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).