2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

C15H14ClN3O2S2 — CID 122265246

IUPAC2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S2/c16-12-5-1-2-7-15(12)23(20,21)18-11-13(14-6-3-10-22-14)19-9-4-8-17-19/h1-10,13,18H,11H2
InChIKeyNGHHWZVLWNKBHM-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.17
Rot. Bonds6

About 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide

2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 122265246) has the molecular formula C15H14ClN3O2S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID122265246
Molecular FormulaC15H14ClN3O2S2
Molecular Weight367.88 g/mol
Exact Mass367.02
IUPAC Name2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1ccccc1Cl
InChIInChI=1S/C15H14ClN3O2S2/c16-12-5-1-2-7-15(12)23(20,21)18-11-13(14-6-3-10-22-14)19-9-4-8-17-19/h1-10,13,18H,11H2
InChIKeyNGHHWZVLWNKBHM-UHFFFAOYSA-N
XLogP3.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122265336
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
2-chloro-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 126850420
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
2-fluoro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 78786892
2-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide
CID 51662811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide (CID 122265246) is 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1cccs1)n1cccn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NGHHWZVLWNKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S2/c16-12-5-1-2-7-15(12)23(20,21)18-11-13(14-6-3-10-22-14)19-9-4-8-17-19/h1-10,13,18H,11H2.
What are the key properties of 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide?
2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 367.88 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 122265246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).