N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide

C15H15N3O4S — CID 38112845

IUPACN-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(N)=O)cc2)c1
InChIInChI=1S/C15H15N3O4S/c1-10-3-2-4-11(9-10)14(19)17-12-5-7-13(8-6-12)23(21,22)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyKQMFOQRQIMSRFQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.60
Rot. Bonds4

About N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide

N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide (PubChem CID 38112845) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
PubChem CID38112845
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC NameN-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(N)=O)cc2)c1
InChIInChI=1S/C15H15N3O4S/c1-10-3-2-4-11(9-10)14(19)17-12-5-7-13(8-6-12)23(21,22)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20)
InChIKeyKQMFOQRQIMSRFQ-UHFFFAOYSA-N
XLogP1.60
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
3-methyl-N-[4-[(4-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide
CID 22921504
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
3-methyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4288383
(3-methylphenyl)sulfonylurea
CID 46224904
N-[4-[(3-methylphenyl)carbamoylamino]phenyl]sulfonylbenzamide
CID 22921487
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
CID 87724838
CID 87724838
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide (CID 38112845) is N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC(N)=O)cc2)c1.
What is the InChIKey of N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide?
The InChIKey is KQMFOQRQIMSRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-10-3-2-4-11(9-10)14(19)17-12-5-7-13(8-6-12)23(21,22)18-15(16)20/h2-9H,1H3,(H,17,19)(H3,16,18,20).
What are the key properties of N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide?
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide has a molecular weight of 333.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 38112845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).