5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

C14H13ClN4O2S2 — CID 71807866

IUPAC5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN4O2S2/c15-13-1-2-14(22-13)23(20,21)17-8-10-19-9-5-12(18-19)11-3-6-16-7-4-11/h1-7,9,17H,8,10H2
InChIKeyJEVCOTAXSJKUBW-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.64
Rot. Bonds6

About 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71807866) has the molecular formula C14H13ClN4O2S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71807866
Molecular FormulaC14H13ClN4O2S2
Molecular Weight368.87 g/mol
Exact Mass368.02
IUPAC Name5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClN4O2S2/c15-13-1-2-14(22-13)23(20,21)17-8-10-19-9-5-12(18-19)11-3-6-16-7-4-11/h1-7,9,17H,8,10H2
InChIKeyJEVCOTAXSJKUBW-UHFFFAOYSA-N
XLogP2.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
4-propan-2-yl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588149
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588160
4-nitro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588155
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125
3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588145
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
5-chloro-N-(3-pyrrol-1-ylpropyl)thiophene-2-sulfonamide
CID 110721121
2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588242
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588184
5-chloro-N-[3-(2-methylimidazol-1-yl)propyl]thiophene-2-sulfonamide
CID 56684506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 71807866) is 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is JEVCOTAXSJKUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S2/c15-13-1-2-14(22-13)23(20,21)17-8-10-19-9-5-12(18-19)11-3-6-16-7-4-11/h1-7,9,17H,8,10H2.
What are the key properties of 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71807866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).