N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide

C28H25ClN2O3S — CID 167784239

IUPACN-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2Cl)c(C)c1
InChIInChI=1S/C28H25ClN2O3S/c1-19-13-16-25(20(2)17-19)31-35(33,34)26-18-23(14-15-24(26)29)30-28(32)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27,31H,1-2H3,(H,30,32)
InChIKeyKUKADKZKTBIUGG-UHFFFAOYSA-N
MW505.04 g/mol
LogP6.53
Rot. Bonds7

About N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide

N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide (PubChem CID 167784239) has the molecular formula C28H25ClN2O3S and a molecular weight of 505.04 g/mol. Its IUPAC name is N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
PubChem CID167784239
Molecular FormulaC28H25ClN2O3S
Molecular Weight505.04 g/mol
Exact Mass504.13
IUPAC NameN-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
SMILESCc1ccc(NS(=O)(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2Cl)c(C)c1
InChIInChI=1S/C28H25ClN2O3S/c1-19-13-16-25(20(2)17-19)31-35(33,34)26-18-23(14-15-24(26)29)30-28(32)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27,31H,1-2H3,(H,30,32)
InChIKeyKUKADKZKTBIUGG-UHFFFAOYSA-N
XLogP6.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.04
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 4041023
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 2980254
(2S)-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-2-(4-methylphenoxy)propanamide
CID 40785964
2-chloro-N-[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylphenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4841214
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide (CID 167784239) is N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide is Cc1ccc(NS(=O)(=O)c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2Cl)c(C)c1.
What is the InChIKey of N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide?
The InChIKey is KUKADKZKTBIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3S/c1-19-13-16-25(20(2)17-19)31-35(33,34)26-18-23(14-15-24(26)29)30-28(32)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-18,27,31H,1-2H3,(H,30,32).
What are the key properties of N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide?
N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide has a molecular weight of 505.04 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 167784239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).