3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide

C14H13ClN2O3S — CID 63195346

IUPAC3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-9-5-6-10(7-13(9)15)14(18)17-11-3-2-4-12(8-11)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeySFFNDQCHOXNEQS-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.55
Rot. Bonds3

About 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide

3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide (PubChem CID 63195346) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
PubChem CID63195346
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl
InChIInChI=1S/C14H13ClN2O3S/c1-9-5-6-10(7-13(9)15)14(18)17-11-3-2-4-12(8-11)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20)
InChIKeySFFNDQCHOXNEQS-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
N-(3-carbamothioylphenyl)-3-chloro-4-methylbenzamide
CID 63195318
(E)-3-(3-chloro-4-methylphenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9413091
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
4-(chloromethyl)-N-(3-sulfamoylphenyl)benzamide
CID 61251224
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
3-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylbenzamide
CID 91676950

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide (CID 63195346) is 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is SFFNDQCHOXNEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-5-6-10(7-13(9)15)14(18)17-11-3-2-4-12(8-11)21(16,19)20/h2-8H,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide?
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 63195346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).