N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22ClN3O5S3 — CID 4676496

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22ClN3O5S3/c1-21(2)29(24,25)14-5-6-15(19)16(12-14)20-18(23)13-7-9-22(10-8-13)30(26,27)17-4-3-11-28-17/h3-6,11-13H,7-10H2,1-2H3,(H,20,23)
InChIKeyGQCWPXWAXKRZCR-UHFFFAOYSA-N
MW492.04 g/mol
LogP2.69
Rot. Bonds6

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4676496) has the molecular formula C18H22ClN3O5S3 and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4676496
Molecular FormulaC18H22ClN3O5S3
Molecular Weight492.04 g/mol
Exact Mass491.04
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22ClN3O5S3/c1-21(2)29(24,25)14-5-6-15(19)16(12-14)20-18(23)13-7-9-22(10-8-13)30(26,27)17-4-3-11-28-17/h3-6,11-13H,7-10H2,1-2H3,(H,20,23)
InChIKeyGQCWPXWAXKRZCR-UHFFFAOYSA-N
XLogP2.69
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
1-[2-Chloro-4-(morpholine-4-sulfonyl)-phenyl]-piperidine-4-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 650322
1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2997690
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 3575923
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4882743
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 15987762
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 15989552
N-(2-chloro-4-fluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 16331852
N-[3-(Methylsulfanyl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-3-carboxamide
CID 22429402
N-(2-chloro-5-methylsulfonylphenyl)-2-thiophen-3-ylacetamide
CID 24241482

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4676496) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is GQCWPXWAXKRZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O5S3/c1-21(2)29(24,25)14-5-6-15(19)16(12-14)20-18(23)13-7-9-22(10-8-13)30(26,27)17-4-3-11-28-17/h3-6,11-13H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4676496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).