3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide

C15H16ClN5O4S — CID 119104989

IUPAC3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCCn1cc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cn1
InChIInChI=1S/C15H16ClN5O4S/c1-3-21-9-10(7-17-21)15-19-14(25-20-15)8-18-26(22,23)11-4-5-13(24-2)12(16)6-11/h4-7,9,18H,3,8H2,1-2H3
InChIKeyMNMSADIRSYGFMZ-UHFFFAOYSA-N
MW397.84 g/mol
LogP2.09
Rot. Bonds7

About 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide

3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide (PubChem CID 119104989) has the molecular formula C15H16ClN5O4S and a molecular weight of 397.84 g/mol. Its IUPAC name is 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
PubChem CID119104989
Molecular FormulaC15H16ClN5O4S
Molecular Weight397.84 g/mol
Exact Mass397.06
IUPAC Name3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
SMILESCCn1cc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cn1
InChIInChI=1S/C15H16ClN5O4S/c1-3-21-9-10(7-17-21)15-19-14(25-20-15)8-18-26(22,23)11-4-5-13(24-2)12(16)6-11/h4-7,9,18H,3,8H2,1-2H3
InChIKeyMNMSADIRSYGFMZ-UHFFFAOYSA-N
XLogP2.09
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485558
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-ethyl-4-methoxybenzenesulfonamide
CID 66485547
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562
1-[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 121199999
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 66485528
3-fluoro-4-methoxy-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 99837652
3-bromo-4-methoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 66485591
N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121022168
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 99184418
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 66485519
3-chloro-4-methoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110368371
5-chloro-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 100749957

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide (CID 119104989) is 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide is CCn1cc(-c2noc(CNS(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cn1.
What is the InChIKey of 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide?
The InChIKey is MNMSADIRSYGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O4S/c1-3-21-9-10(7-17-21)15-19-14(25-20-15)8-18-26(22,23)11-4-5-13(24-2)12(16)6-11/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide has a molecular weight of 397.84 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 119104989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).