N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C18H18FN3O3S — CID 110359990

IUPACN-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H18FN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-16-6-8-17(9-7-16)25-11-14-4-3-5-15(19)10-14/h3-10,22H,11H2,1-2H3,(H,20,21)
InChIKeyPZGHBCDPXIMRPD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.55
Rot. Bonds6

About N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110359990) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110359990
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1
InChIInChI=1S/C18H18FN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-16-6-8-17(9-7-16)25-11-14-4-3-5-15(19)10-14/h3-10,22H,11H2,1-2H3,(H,20,21)
InChIKeyPZGHBCDPXIMRPD-UHFFFAOYSA-N
XLogP3.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19584261
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113012183
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112983433
N-(3-fluoro-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79049840
N-[4-(2-aminoethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754608
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110359990) is N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is PZGHBCDPXIMRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-12-18(13(2)21-20-12)26(23,24)22-16-6-8-17(9-7-16)25-11-14-4-3-5-15(19)10-14/h3-10,22H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110359990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).