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

C29H27ClN2O3S — CID 3608681

IUPACN,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2Cl)c1C
InChIInChI=1S/C29H27ClN2O3S/c1-21-10-9-15-27(22(21)2)31-36(34,35)28-18-25(16-17-26(28)30)29(33)32(19-23-11-5-3-6-12-23)20-24-13-7-4-8-14-24/h3-18,31H,19-20H2,1-2H3
InChIKeyTVZYIGFDAFCGSP-UHFFFAOYSA-N
MW519.07 g/mol
LogP6.60
Rot. Bonds8

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

N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 3608681) has the molecular formula C29H27ClN2O3S and a molecular weight of 519.07 g/mol. Its IUPAC name is N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
PubChem CID3608681
Molecular FormulaC29H27ClN2O3S
Molecular Weight519.07 g/mol
Exact Mass518.14
IUPAC NameN,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2Cl)c1C
InChIInChI=1S/C29H27ClN2O3S/c1-21-10-9-15-27(22(21)2)31-36(34,35)28-18-25(16-17-26(28)30)29(33)32(19-23-11-5-3-6-12-23)20-24-13-7-4-8-14-24/h3-18,31H,19-20H2,1-2H3
InChIKeyTVZYIGFDAFCGSP-UHFFFAOYSA-N
XLogP6.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.07
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 5126188
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 5035675
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 92685251
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(1R)-1-phenylpropyl]benzamide
CID 99954512
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-(1-phenylpropyl)benzamide
CID 132613677
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767222
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
N-(2-benzylsulfanylethyl)-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4285885
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 2226277
N-benzyl-3-[(2-chlorophenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 60520179

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide (CID 3608681) is N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2Cl)c1C.
What is the InChIKey of N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is TVZYIGFDAFCGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN2O3S/c1-21-10-9-15-27(22(21)2)31-36(34,35)28-18-25(16-17-26(28)30)29(33)32(19-23-11-5-3-6-12-23)20-24-13-7-4-8-14-24/h3-18,31H,19-20H2,1-2H3.
What are the key properties of N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
N,N-dibenzyl-4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 519.07 g/mol, XLogP of 6.60, 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-[(2,3-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 3608681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).