5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C25H26ClN3O6S2 — CID 46770117

IUPAC5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H26ClN3O6S2/c1-35-24-13-11-20(37(33,34)29-14-6-3-7-15-29)17-23(24)27-25(30)21-16-18(10-12-22(21)26)28-36(31,32)19-8-4-2-5-9-19/h2,4-5,8-13,16-17,28H,3,6-7,14-15H2,1H3,(H,27,30)
InChIKeyCXJYRWIUQRGXQP-UHFFFAOYSA-N
MW564.09 g/mol
LogP4.58
Rot. Bonds8

About 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide

5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 46770117) has the molecular formula C25H26ClN3O6S2 and a molecular weight of 564.09 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID46770117
Molecular FormulaC25H26ClN3O6S2
Molecular Weight564.09 g/mol
Exact Mass563.10
IUPAC Name5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C25H26ClN3O6S2/c1-35-24-13-11-20(37(33,34)29-14-6-3-7-15-29)17-23(24)27-25(30)21-16-18(10-12-22(21)26)28-36(31,32)19-8-4-2-5-9-19/h2,4-5,8-13,16-17,28H,3,6-7,14-15H2,1H3,(H,27,30)
InChIKeyCXJYRWIUQRGXQP-UHFFFAOYSA-N
XLogP4.58
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.09
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-nitrobenzamide
CID 26065828
2-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99939796
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
5-(azepan-1-ylsulfonyl)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 43882708
2-iodo-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 38020238
5-(azepan-1-ylsulfonyl)-2-chloro-N-(3,4-dimethoxyphenyl)benzamide
CID 46387461
2-chloro-N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26364818
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 8746944

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 46770117) is 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is CXJYRWIUQRGXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O6S2/c1-35-24-13-11-20(37(33,34)29-14-6-3-7-15-29)17-23(24)27-25(30)21-16-18(10-12-22(21)26)28-36(31,32)19-8-4-2-5-9-19/h2,4-5,8-13,16-17,28H,3,6-7,14-15H2,1H3,(H,27,30).
What are the key properties of 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 564.09 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-2-chloro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 46770117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).