N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide

C16H17ClN2O4S — CID 2464580

IUPACN-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)13-7-4-11(5-8-13)16(20)18-12-6-9-15(23-3)14(17)10-12/h4-10H,1-3H3,(H,18,20)
InChIKeyAJQOVRNVQFUASQ-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.85
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide (PubChem CID 2464580) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
PubChem CID2464580
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)13-7-4-11(5-8-13)16(20)18-12-6-9-15(23-3)14(17)10-12/h4-10H,1-3H3,(H,18,20)
InChIKeyAJQOVRNVQFUASQ-UHFFFAOYSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-(3-chloro-4-methoxyphenyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 2966578
N-(3-chloro-4-methoxyphenyl)-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664148
N-(3-chloro-4-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]benzamide
CID 126412313
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
1-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 46800265

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide (CID 2464580) is N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide is COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
The InChIKey is AJQOVRNVQFUASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-19(2)24(21,22)13-7-4-11(5-8-13)16(20)18-12-6-9-15(23-3)14(17)10-12/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide has a molecular weight of 368.84 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2464580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).