4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide

C26H22ClN3O5S2 — CID 126414116

IUPAC4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S2/c1-18-7-5-6-10-24(18)30-37(34,35)25-17-19(11-16-23(25)27)26(31)28-20-12-14-22(15-13-20)36(32,33)29-21-8-3-2-4-9-21/h2-17,29-30H,1H3,(H,28,31)
InChIKeyQXPOTMFVYVRUAV-UHFFFAOYSA-N
MW556.07 g/mol
LogP5.50
Rot. Bonds8

About 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 126414116) has the molecular formula C26H22ClN3O5S2 and a molecular weight of 556.07 g/mol. Its IUPAC name is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID126414116
Molecular FormulaC26H22ClN3O5S2
Molecular Weight556.07 g/mol
Exact Mass555.07
IUPAC Name4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C26H22ClN3O5S2/c1-18-7-5-6-10-24(18)30-37(34,35)25-17-19(11-16-23(25)27)26(31)28-20-12-14-22(15-13-20)36(32,33)29-21-8-3-2-4-9-21/h2-17,29-30H,1H3,(H,28,31)
InChIKeyQXPOTMFVYVRUAV-UHFFFAOYSA-N
XLogP5.50
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.07
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5028391
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
4-chloro-N-(3,5-dichlorophenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4213074
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99942017
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
4-chloro-N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-3-(phenylsulfamoyl)benzamide
CID 5041241
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 126414116) is 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is QXPOTMFVYVRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S2/c1-18-7-5-6-10-24(18)30-37(34,35)25-17-19(11-16-23(25)27)26(31)28-20-12-14-22(15-13-20)36(32,33)29-21-8-3-2-4-9-21/h2-17,29-30H,1H3,(H,28,31).
What are the key properties of 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 556.07 g/mol, XLogP of 5.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 126414116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).