N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide

C18H18FN3O4S — CID 22202053

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C18H18FN3O4S/c1-25-17-8-7-16(9-18(17)26-2)27(23,24)21-15-10-20-22(12-15)11-13-3-5-14(19)6-4-13/h3-10,12,21H,11H2,1-2H3
InChIKeyUKQAUIFVUPJHON-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.89
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 22202053) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID22202053
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C18H18FN3O4S/c1-25-17-8-7-16(9-18(17)26-2)27(23,24)21-15-10-20-22(12-15)11-13-3-5-14(19)6-4-13/h3-10,12,21H,11H2,1-2H3
InChIKeyUKQAUIFVUPJHON-UHFFFAOYSA-N
XLogP2.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethoxybenzenesulfonamide
CID 22202052
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 17022795
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-4-fluorobenzenesulfonamide
CID 22204249
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
4-fluoro-N-[1-(2-methylpropyl)pyrazol-4-yl]benzenesulfonamide
CID 71991616
N-[5-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 31913130
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 39853759
3,4-dimethoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532732

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide (CID 22202053) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is UKQAUIFVUPJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c1-25-17-8-7-16(9-18(17)26-2)27(23,24)21-15-10-20-22(12-15)11-13-3-5-14(19)6-4-13/h3-10,12,21H,11H2,1-2H3.
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 391.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22202053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).