2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid

C17H15ClN4O4S — CID 68922594

IUPAC2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H15ClN4O4S/c18-14-5-1-2-6-15(14)22-16(10-12(21-22)7-9-20-17(23)24)27(25,26)13-4-3-8-19-11-13/h1-6,8,10-11,20H,7,9H2,(H,23,24)
InChIKeyZVHSUDBTLCDSTM-UHFFFAOYSA-N
MW406.85 g/mol
LogP2.56
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid

2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid (PubChem CID 68922594) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid
PubChem CID68922594
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC Name2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C17H15ClN4O4S/c18-14-5-1-2-6-15(14)22-16(10-12(21-22)7-9-20-17(23)24)27(25,26)13-4-3-8-19-11-13/h1-6,8,10-11,20H,7,9H2,(H,23,24)
InChIKeyZVHSUDBTLCDSTM-UHFFFAOYSA-N
XLogP2.56
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(benzenesulfonyl)-1-(2-methoxy-3-pyridinyl)pyrazol-3-yl]ethylcarbamic acid
CID 68924767
2-[5-[(6-chloro-3-pyridinyl)sulfonyl]-1-(3-fluoro-2-methylphenyl)pyrazol-3-yl]ethylcarbamic acid
CID 87624928
(E)-but-2-enedioic acid;1-[1-(2-chloro-5-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 68750387
1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
CID 25234877
but-2-enedioic acid;1-[1-(2-chlorophenyl)-5-pyridin-4-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 68924916
1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 25234875
[5-(benzenesulfonyl)-1-(2-chloro-3-pyridinyl)pyrazol-3-yl]methanol
CID 86631728
[1-[1-(2-fluoro-4-methylphenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid
CID 68750195
[1-(3-fluoro-2-methylphenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]methyl-methylcarbamic acid
CID 68922455
[1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid;1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 68753024
2-[5-(3-cyanophenyl)sulfonyl-1-(2,5-difluorophenyl)pyrazol-3-yl]ethylcarbamic acid
CID 68927530
[1-(2-chlorophenyl)-5-[(2-methoxy-4-pyridinyl)sulfonyl]pyrazol-3-yl]methyl-methylcarbamic acid
CID 68748178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid (CID 68922594) is 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid is O=C(O)NCCc1cc(S(=O)(=O)c2cccnc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid?
The InChIKey is ZVHSUDBTLCDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c18-14-5-1-2-6-15(14)22-16(10-12(21-22)7-9-20-17(23)24)27(25,26)13-4-3-8-19-11-13/h1-6,8,10-11,20H,7,9H2,(H,23,24).
What are the key properties of 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid?
2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid has a molecular weight of 406.85 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 68922594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).