N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide

C28H25ClN2O3S — CID 5126188

IUPACN,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C28H25ClN2O3S/c1-21-10-8-9-15-26(21)30-35(33,34)27-18-24(16-17-25(27)29)28(32)31(19-22-11-4-2-5-12-22)20-23-13-6-3-7-14-23/h2-18,30H,19-20H2,1H3
InChIKeyVLSVIZPXPDCDIV-UHFFFAOYSA-N
MW505.04 g/mol
LogP6.29
Rot. Bonds8

About N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide

N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 5126188) has the molecular formula C28H25ClN2O3S and a molecular weight of 505.04 g/mol. Its IUPAC name is N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID5126188
Molecular FormulaC28H25ClN2O3S
Molecular Weight505.04 g/mol
Exact Mass504.13
IUPAC NameN,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C28H25ClN2O3S/c1-21-10-8-9-15-26(21)30-35(33,34)27-18-24(16-17-25(27)29)28(32)31(19-22-11-4-2-5-12-22)20-23-13-6-3-7-14-23/h2-18,30H,19-20H2,1H3
InChIKeyVLSVIZPXPDCDIV-UHFFFAOYSA-N
XLogP6.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.04
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 3608681
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554
N-(2-benzylsulfanylethyl)-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4285885
4-chloro-3-[(2-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80694028
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-N-[(2,4-dichlorophenyl)methyl]-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3578493
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767219
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide (CID 5126188) is N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl.
What is the InChIKey of N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is VLSVIZPXPDCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3S/c1-21-10-8-9-15-26(21)30-35(33,34)27-18-24(16-17-25(27)29)28(32)31(19-22-11-4-2-5-12-22)20-23-13-6-3-7-14-23/h2-18,30H,19-20H2,1H3.
What are the key properties of N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide?
N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 505.04 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 5126188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).