4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

C27H24ClN3O7S2 — CID 43885917

IUPAC4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)c(OC)c1
InChIInChI=1S/C27H24ClN3O7S2/c1-37-20-11-15-25(26(17-20)38-2)31-40(35,36)22-12-8-18(9-13-22)29-27(32)23-14-10-19(16-24(23)28)30-39(33,34)21-6-4-3-5-7-21/h3-17,30-31H,1-2H3,(H,29,32)
InChIKeyURXPCNTYYGDREV-UHFFFAOYSA-N
MW602.09 g/mol
LogP5.21
Rot. Bonds10

About 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 43885917) has the molecular formula C27H24ClN3O7S2 and a molecular weight of 602.09 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID43885917
Molecular FormulaC27H24ClN3O7S2
Molecular Weight602.09 g/mol
Exact Mass601.07
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)c(OC)c1
InChIInChI=1S/C27H24ClN3O7S2/c1-37-20-11-15-25(26(17-20)38-2)31-40(35,36)22-12-8-18(9-13-22)29-27(32)23-14-10-19(16-24(23)28)30-39(33,34)21-6-4-3-5-7-21/h3-17,30-31H,1-2H3,(H,29,32)
InChIKeyURXPCNTYYGDREV-UHFFFAOYSA-N
XLogP5.21
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.09
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
4-(benzenesulfonamido)-2-chloro-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 99943737
2,4-dichloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18893144
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
4-(benzenesulfonamido)-2-chloro-N-(2-phenoxyphenyl)benzamide
CID 99958448
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide (CID 43885917) is 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3Cl)cc2)c(OC)c1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is URXPCNTYYGDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O7S2/c1-37-20-11-15-25(26(17-20)38-2)31-40(35,36)22-12-8-18(9-13-22)29-27(32)23-14-10-19(16-24(23)28)30-39(33,34)21-6-4-3-5-7-21/h3-17,30-31H,1-2H3,(H,29,32).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 602.09 g/mol, XLogP of 5.21, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 43885917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).