N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C16H17ClN2O3S — CID 2511495

IUPACN-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-5-7-15(8-6-12)23(21,22)18-10-9-16(20)19-14-4-2-3-13(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyPYCKYFDOQWCJIO-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.96
Rot. Bonds6

About N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 2511495) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID2511495
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-5-7-15(8-6-12)23(21,22)18-10-9-16(20)19-14-4-2-3-13(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyPYCKYFDOQWCJIO-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-{[2-(4-sulfamoylphenyl)ethyl]sulfamoyl}phenyl)acetamide
CID 1977749
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
(2E)-2-[(4-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155527145
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155557452
2-(4-chloroanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164614642
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(3-Chlorophenyl)-2-{N-[3-(trifluoromethyl)phenyl]benzenesulfonamido}acetamide
CID 1247140
N-(4-(((2-Phenylethyl)amino)sulfonyl)phenyl)ethanamide
CID 669172
N-[4-(4-Methyl-benzylsulfamoyl)-phenyl]-acetamide
CID 669174
N-(3-chloro-2-methylphenyl)-2-(N-(4-chlorophenyl)phenylsulfonamido)acetamide
CID 1153925
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 2511495) is N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is PYCKYFDOQWCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-5-7-15(8-6-12)23(21,22)18-10-9-16(20)19-14-4-2-3-13(17)11-14/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 352.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 2511495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).