2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide

C22H22ClN3O5S2 — CID 92673277

IUPAC2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1
InChIInChI=1S/C22H22ClN3O5S2/c1-14-4-5-15(2)21(12-14)26-33(30,31)18-9-6-16(7-10-18)24-22(27)19-11-8-17(13-20(19)23)25-32(3,28)29/h4-13,25-26H,1-3H3,(H,24,27)
InChIKeyLGHCGDNZJQXRTN-UHFFFAOYSA-N
MW508.02 g/mol
LogP4.38
Rot. Bonds7

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

2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (PubChem CID 92673277) has the molecular formula C22H22ClN3O5S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
PubChem CID92673277
Molecular FormulaC22H22ClN3O5S2
Molecular Weight508.02 g/mol
Exact Mass507.07
IUPAC Name2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1
InChIInChI=1S/C22H22ClN3O5S2/c1-14-4-5-15(2)21(12-14)26-33(30,31)18-9-6-16(7-10-18)24-22(27)19-11-8-17(13-20(19)23)25-32(3,28)29/h4-13,25-26H,1-3H3,(H,24,27)
InChIKeyLGHCGDNZJQXRTN-UHFFFAOYSA-N
XLogP4.38
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772054
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-bromo-2-chlorobenzamide
CID 60514790
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92681738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (CID 92673277) is 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The InChIKey is LGHCGDNZJQXRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S2/c1-14-4-5-15(2)21(12-14)26-33(30,31)18-9-6-16(7-10-18)24-22(27)19-11-8-17(13-20(19)23)25-32(3,28)29/h4-13,25-26H,1-3H3,(H,24,27).
What are the key properties of 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide has a molecular weight of 508.02 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 92673277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).