1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide

C14H14ClN3O3S — CID 51086105

IUPAC1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)C2(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C14H14ClN3O3S/c1-18-9-12(8-16-18)22(20,21)17-13(19)14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyXRLKHAFYHGOJJH-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.61
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide (PubChem CID 51086105) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
PubChem CID51086105
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)C2(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C14H14ClN3O3S/c1-18-9-12(8-16-18)22(20,21)17-13(19)14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,17,19)
InChIKeyXRLKHAFYHGOJJH-UHFFFAOYSA-N
XLogP1.61
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)sulfonyl-1-phenylcyclobutane-1-carboxamide
CID 51086103
3-(3-fluorophenyl)-2-methyl-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53581736
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56816015
1-(3-methylphenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopentane-1-carboxamide
CID 56823727
3-(2,3-difluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53607067
N-(1-ethylpyrazol-4-yl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 71978359
(3S)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylbutanamide
CID 95977686
3-chloro-N-(1-ethylpyrazol-4-yl)sulfonyl-2-methylbenzamide
CID 100700833
4-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
CID 47271418
5-chloro-2-fluoro-N-(1-methylpyrazol-4-yl)sulfonylbenzamide
CID 47271422
N-(1-benzylpyrazol-4-yl)sulfonyl-3-chloro-2-fluorobenzamide
CID 71916672
3-(2-fluorophenyl)-N-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]butanamide
CID 72045262

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide (CID 51086105) is 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide is Cn1cc(S(=O)(=O)NC(=O)C2(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is XRLKHAFYHGOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-18-9-12(8-16-18)22(20,21)17-13(19)14(5-6-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,17,19).
What are the key properties of 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 51086105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).