2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C19H22ClN3O5S2 — CID 92681738

IUPAC2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O5S2/c1-29(25,26)22-15-7-10-17(18(20)13-15)19(24)21-14-5-8-16(9-6-14)30(27,28)23-11-3-2-4-12-23/h5-10,13,22H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyFTTWWVBXSYGPKB-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.14
Rot. Bonds6

About 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 92681738) has the molecular formula C19H22ClN3O5S2 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID92681738
Molecular FormulaC19H22ClN3O5S2
Molecular Weight471.99 g/mol
Exact Mass471.07
IUPAC Name2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O5S2/c1-29(25,26)22-15-7-10-17(18(20)13-15)19(24)21-14-5-8-16(9-6-14)30(27,28)23-11-3-2-4-12-23/h5-10,13,22H,2-4,11-12H2,1H3,(H,21,24)
InChIKeyFTTWWVBXSYGPKB-UHFFFAOYSA-N
XLogP3.14
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
4-chloro-2-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 60594030
5-(azepan-1-ylsulfonyl)-N-(4-chlorophenyl)-2-fluorobenzamide
CID 4085587
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 92681738) is 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FTTWWVBXSYGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S2/c1-29(25,26)22-15-7-10-17(18(20)13-15)19(24)21-14-5-8-16(9-6-14)30(27,28)23-11-3-2-4-12-23/h5-10,13,22H,2-4,11-12H2,1H3,(H,21,24).
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 471.99 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 92681738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).