3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

C28H27N3O5S2 — CID 126415351

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)cc1C
InChIInChI=1S/C28H27N3O5S2/c1-19-10-12-25(17-21(19)3)31-38(35,36)27-18-22(11-9-20(27)2)28(32)29-23-13-15-26(16-14-23)37(33,34)30-24-7-5-4-6-8-24/h4-18,30-31H,1-3H3,(H,29,32)
InChIKeySEVHIIDFKPOLOR-UHFFFAOYSA-N
MW549.67 g/mol
LogP5.47
Rot. Bonds8

About 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 126415351) has the molecular formula C28H27N3O5S2 and a molecular weight of 549.67 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID126415351
Molecular FormulaC28H27N3O5S2
Molecular Weight549.67 g/mol
Exact Mass549.14
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)cc1C
InChIInChI=1S/C28H27N3O5S2/c1-19-10-12-25(17-21(19)3)31-38(35,36)27-18-22(11-9-20(27)2)28(32)29-23-13-15-26(16-14-23)37(33,34)30-24-7-5-4-6-8-24/h4-18,30-31H,1-3H3,(H,29,32)
InChIKeySEVHIIDFKPOLOR-UHFFFAOYSA-N
XLogP5.47
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 126415351) is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)ccc2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is SEVHIIDFKPOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5S2/c1-19-10-12-25(17-21(19)3)31-38(35,36)27-18-22(11-9-20(27)2)28(32)29-23-13-15-26(16-14-23)37(33,34)30-24-7-5-4-6-8-24/h4-18,30-31H,1-3H3,(H,29,32).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 549.67 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 126415351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).