N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide

C23H22ClN3O4S — CID 31855172

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CC(N)=O)cc3)c2)cc1C
InChIInChI=1S/C23H22ClN3O4S/c1-14-3-6-18(11-15(14)2)27-32(30,31)19-9-10-21(24)20(13-19)23(29)26-17-7-4-16(5-8-17)12-22(25)28/h3-11,13,27H,12H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyOXLCMQSCKKMDDN-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.04
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 31855172) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID31855172
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CC(N)=O)cc3)c2)cc1C
InChIInChI=1S/C23H22ClN3O4S/c1-14-3-6-18(11-15(14)2)27-32(30,31)19-9-10-21(24)20(13-19)23(29)26-17-7-4-16(5-8-17)12-22(25)28/h3-11,13,27H,12H2,1-2H3,(H2,25,28)(H,26,29)
InChIKeyOXLCMQSCKKMDDN-UHFFFAOYSA-N
XLogP4.04
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
N-[4-(carbamoylamino)phenyl]-2-chloro-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 33156080
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 46424583
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 17497543
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide (CID 31855172) is N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(CC(N)=O)cc3)c2)cc1C.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is OXLCMQSCKKMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-14-3-6-18(11-15(14)2)27-32(30,31)19-9-10-21(24)20(13-19)23(29)26-17-7-4-16(5-8-17)12-22(25)28/h3-11,13,27H,12H2,1-2H3,(H2,25,28)(H,26,29).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 31855172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).