N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide

C22H22ClN3O5S2 — CID 21367810

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c1-3-32(28,29)26(2)20-11-7-16(8-12-20)22(27)24-18-9-13-21(14-10-18)33(30,31)25-19-6-4-5-17(23)15-19/h4-15,25H,3H2,1-2H3,(H,24,27)
InChIKeyIXTLQQUXHKSASW-UHFFFAOYSA-N
MW508.02 g/mol
LogP4.18
Rot. Bonds8

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide (PubChem CID 21367810) has the molecular formula C22H22ClN3O5S2 and a molecular weight of 508.02 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
PubChem CID21367810
Molecular FormulaC22H22ClN3O5S2
Molecular Weight508.02 g/mol
Exact Mass507.07
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
SMILESCCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C22H22ClN3O5S2/c1-3-32(28,29)26(2)20-11-7-16(8-12-20)22(27)24-18-9-13-21(14-10-18)33(30,31)25-19-6-4-5-17(23)15-19/h4-15,25H,3H2,1-2H3,(H,24,27)
InChIKeyIXTLQQUXHKSASW-UHFFFAOYSA-N
XLogP4.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.02
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
4-[dimethylsulfamoyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 18891060
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126172617
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3547100
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
4-[benzenesulfonyl(methyl)amino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43879853
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-(3-bromophenyl)-4-[ethylsulfonyl(methyl)amino]benzamide
CID 8991381
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-tert-butyl-N-[3-[[4-[ethylsulfonyl(methyl)amino]benzoyl]amino]phenyl]benzamide
CID 99956067
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414840

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide (CID 21367810) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide is CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
The InChIKey is IXTLQQUXHKSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5S2/c1-3-32(28,29)26(2)20-11-7-16(8-12-20)22(27)24-18-9-13-21(14-10-18)33(30,31)25-19-6-4-5-17(23)15-19/h4-15,25H,3H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide has a molecular weight of 508.02 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 21367810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).