1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide

C18H19N3O3S — CID 17375979

IUPAC1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cnn1C
InChIInChI=1S/C18H19N3O3S/c1-14-18(12-19-21(14)2)25(22,23)20-16-8-10-17(11-9-16)24-13-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3
InChIKeyNXAVBNMCSNQCPW-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.11
Rot. Bonds6

About 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide

1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide (PubChem CID 17375979) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
PubChem CID17375979
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cnn1C
InChIInChI=1S/C18H19N3O3S/c1-14-18(12-19-21(14)2)25(22,23)20-16-8-10-17(11-9-16)24-13-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3
InChIKeyNXAVBNMCSNQCPW-UHFFFAOYSA-N
XLogP3.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22774219
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
1,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 22203300
2-chloro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 45369229
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
6-chloro-N-(4-phenylmethoxyphenyl)pyridine-3-sulfonamide
CID 26951357
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 166627714
1,5-dimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203361
4-methyl-2-oxo-N-(4-phenylmethoxyphenyl)-3H-1,3-thiazole-5-sulfonamide
CID 113225231
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
4-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 1379163

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide (CID 17375979) is 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
The InChIKey is NXAVBNMCSNQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-18(12-19-21(14)2)25(22,23)20-16-8-10-17(11-9-16)24-13-15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide?
1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 17375979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).