2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

C20H19ClN4O3S2 — CID 2679186

IUPAC2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H19ClN4O3S2/c21-18-7-6-16(14-17(18)19(26)23-20-22-8-13-29-20)30(27,28)25-11-9-24(10-12-25)15-4-2-1-3-5-15/h1-8,13-14H,9-12H2,(H,22,23,26)
InChIKeyUNIDOSISOPUZGY-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.56
Rot. Bonds5

About 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide

2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2679186) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2679186
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC Name2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl
InChIInChI=1S/C20H19ClN4O3S2/c21-18-7-6-16(14-17(18)19(26)23-20-22-8-13-29-20)30(27,28)25-11-9-24(10-12-25)15-4-2-1-3-5-15/h1-8,13-14H,9-12H2,(H,22,23,26)
InChIKeyUNIDOSISOPUZGY-UHFFFAOYSA-N
XLogP3.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 8762849
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2117884
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-pyridin-4-ylbenzamide
CID 24687022
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 2369448
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 5009246
2-chloro-N-[(4-hydroxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25360479
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzoic acid
CID 45466358
5-(benzenesulfonamido)-2-chloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 43909921
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 4179172
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 2679186) is 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UNIDOSISOPUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c21-18-7-6-16(14-17(18)19(26)23-20-22-8-13-29-20)30(27,28)25-11-9-24(10-12-25)15-4-2-1-3-5-15/h1-8,13-14H,9-12H2,(H,22,23,26).
What are the key properties of 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 462.98 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2679186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).