4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide

C16H17ClN2O3S — CID 39634418

IUPAC4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-14(17)4-3-5-15(11)23(21,22)19(2)10-12-6-8-13(9-7-12)16(18)20/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyCXJYEMAQUBDGAC-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.57
Rot. Bonds5

About 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide

4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide (PubChem CID 39634418) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide
PubChem CID39634418
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-11-14(17)4-3-5-15(11)23(21,22)19(2)10-12-6-8-13(9-7-12)16(18)20/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyCXJYEMAQUBDGAC-UHFFFAOYSA-N
XLogP2.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 64511137
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
4-[[(2,5-dichlorophenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 26542014
N-cyclopropyl-4-[[methyl-(2-methyl-3-nitrophenyl)sulfonylamino]methyl]benzamide
CID 35383768
ethyl 3-bromo-4-[(4-chlorophenyl)methyl-methylsulfamoyl]benzoate
CID 39999151
4-[(3-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 51263313
N-[[4-[[[2-(2-chlorophenyl)acetyl]amino]carbamoyl]phenyl]methyl]-N,4-dimethylbenzenesulfonamide
CID 4799361
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
4-[[(3-chloro-2-methylphenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]-N-hydroxycyclohexane-1-carboxamide
CID 92695209

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide (CID 39634418) is 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide is Cc1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide?
The InChIKey is CXJYEMAQUBDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-14(17)4-3-5-15(11)23(21,22)19(2)10-12-6-8-13(9-7-12)16(18)20/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide?
4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide has a molecular weight of 352.84 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-2-methylphenyl)sulfonyl-methylamino]methyl]benzamide is sourced from PubChem (CID 39634418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).