5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide

C30H28ClN3O6S — CID 99954563

IUPAC5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OC
InChIInChI=1S/C30H28ClN3O6S/c1-39-27-15-12-20(18-28(27)40-2)16-17-32-29(35)23-10-6-7-11-26(23)33-30(36)24-19-21(13-14-25(24)31)34-41(37,38)22-8-4-3-5-9-22/h3-15,18-19,34H,16-17H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyRXDLREPDLDRHBL-UHFFFAOYSA-N
MW594.09 g/mol
LogP5.38
Rot. Bonds11

About 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide

5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide (PubChem CID 99954563) has the molecular formula C30H28ClN3O6S and a molecular weight of 594.09 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
PubChem CID99954563
Molecular FormulaC30H28ClN3O6S
Molecular Weight594.09 g/mol
Exact Mass593.14
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OC
InChIInChI=1S/C30H28ClN3O6S/c1-39-27-15-12-20(18-28(27)40-2)16-17-32-29(35)23-10-6-7-11-26(23)33-30(36)24-19-21(13-14-25(24)31)34-41(37,38)22-8-4-3-5-9-22/h3-15,18-19,34H,16-17H2,1-2H3,(H,32,35)(H,33,36)
InChIKeyRXDLREPDLDRHBL-UHFFFAOYSA-N
XLogP5.38
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.09
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 43885687
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 4094581
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
2-[(4-chlorophenyl)methylsulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 18891430
5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 46770117
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide (CID 99954563) is 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1OC.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide?
The InChIKey is RXDLREPDLDRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O6S/c1-39-27-15-12-20(18-28(27)40-2)16-17-32-29(35)23-10-6-7-11-26(23)33-30(36)24-19-21(13-14-25(24)31)34-41(37,38)22-8-4-3-5-9-22/h3-15,18-19,34H,16-17H2,1-2H3,(H,32,35)(H,33,36).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide?
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide has a molecular weight of 594.09 g/mol, XLogP of 5.38, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 99954563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).