N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C18H17ClN4O3S3 — CID 25405161

IUPACN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=C(c1csc(NS(=O)(=O)c2cccs2)n1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClN4O3S3/c19-13-4-1-2-5-15(13)22-7-9-23(10-8-22)17(24)14-12-28-18(20-14)21-29(25,26)16-6-3-11-27-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyMPMLLBNAJKKWIM-UHFFFAOYSA-N
MW469.01 g/mol
LogP3.62
Rot. Bonds5

About N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide

N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 25405161) has the molecular formula C18H17ClN4O3S3 and a molecular weight of 469.01 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID25405161
Molecular FormulaC18H17ClN4O3S3
Molecular Weight469.01 g/mol
Exact Mass468.02
IUPAC NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=C(c1csc(NS(=O)(=O)c2cccs2)n1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H17ClN4O3S3/c19-13-4-1-2-5-15(13)22-7-9-23(10-8-22)17(24)14-12-28-18(20-14)21-29(25,26)16-6-3-11-27-16/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyMPMLLBNAJKKWIM-UHFFFAOYSA-N
XLogP3.62
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.01
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 25405160
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 25405296
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 25356068
N-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 25405806
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55924296
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 155950204
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255
N-[2-(4-chlorophenyl)ethyl]-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 42109082
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
1-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-3-(2,6-dimethylphenyl)-1-propan-2-ylurea
CID 1199635
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]methanone
CID 90510179
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]methanone
CID 90509886

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 25405161) is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=C(c1csc(NS(=O)(=O)c2cccs2)n1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is MPMLLBNAJKKWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S3/c19-13-4-1-2-5-15(13)22-7-9-23(10-8-22)17(24)14-12-28-18(20-14)21-29(25,26)16-6-3-11-27-16/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 469.01 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 25405161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).