3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C15H18ClN3O3S — CID 90597875

IUPAC3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H18ClN3O3S/c1-11-14(16)3-2-4-15(11)23(20,21)18-12-9-17-19(10-12)13-5-7-22-8-6-13/h2-4,9-10,13,18H,5-8H2,1H3
InChIKeyMCVAUFBDAPHRJK-UHFFFAOYSA-N
MW355.85 g/mol
LogP3.00
Rot. Bonds4

About 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 90597875) has the molecular formula C15H18ClN3O3S and a molecular weight of 355.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID90597875
Molecular FormulaC15H18ClN3O3S
Molecular Weight355.85 g/mol
Exact Mass355.08
IUPAC Name3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C15H18ClN3O3S/c1-11-14(16)3-2-4-15(11)23(20,21)18-12-9-17-19(10-12)13-5-7-22-8-6-13/h2-4,9-10,13,18H,5-8H2,1H3
InChIKeyMCVAUFBDAPHRJK-UHFFFAOYSA-N
XLogP3.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 90597875) is 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MCVAUFBDAPHRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3S/c1-11-14(16)3-2-4-15(11)23(20,21)18-12-9-17-19(10-12)13-5-7-22-8-6-13/h2-4,9-10,13,18H,5-8H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 355.85 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 90597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).