N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide

C15H15ClN2O4S — CID 55704375

IUPACN-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10-3-6-12(9-14(10)16)17-15(19)11-4-7-13(8-5-11)23(20,21)18-22-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIHZJHKGYAYLHNB-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.74
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide

N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide (PubChem CID 55704375) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
PubChem CID55704375
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
SMILESCONS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O4S/c1-10-3-6-12(9-14(10)16)17-15(19)11-4-7-13(8-5-11)23(20,21)18-22-2/h3-9,18H,1-2H3,(H,17,19)
InChIKeyIHZJHKGYAYLHNB-UHFFFAOYSA-N
XLogP2.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 17485467
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
N-(3-chloro-4-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333029
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
4-N-(3-chloro-4-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043947
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide (CID 55704375) is N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide is CONS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide?
The InChIKey is IHZJHKGYAYLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-10-3-6-12(9-14(10)16)17-15(19)11-4-7-13(8-5-11)23(20,21)18-22-2/h3-9,18H,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide?
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide has a molecular weight of 354.82 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide is sourced from PubChem (CID 55704375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).