N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide

C16H18N2O3S — CID 110678045

IUPACN-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-12-8-14(10-15(9-12)22(17,20)21)16(19)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,20,21)
InChIKeyMRLDJCMGMSIWCR-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.91
Rot. Bonds4

About N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide

N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 110678045) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
PubChem CID110678045
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-benzyl-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-12-8-14(10-15(9-12)22(17,20)21)16(19)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,20,21)
InChIKeyMRLDJCMGMSIWCR-UHFFFAOYSA-N
XLogP1.91
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61092300
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CID 78771211
N-ethyl-3-methyl-N-(2-pyridin-4-ylethyl)-5-sulfamoylbenzamide
CID 110678066
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
N-benzyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 42695464
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-benzyl-3-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 109062895
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide (CID 110678045) is N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide is Cc1cc(C(=O)N(C)Cc2ccccc2)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is MRLDJCMGMSIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-12-8-14(10-15(9-12)22(17,20)21)16(19)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,17,20,21).
What are the key properties of N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide?
N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 110678045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).