N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C17H18FN5O2S — CID 113012183

IUPACN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C17H18FN5O2S/c1-11-17(12(2)22-21-11)26(24,25)23-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,23H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPCIMNWOEJZWMQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.97
Rot. Bonds6

About N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 113012183) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID113012183
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC NameN-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1
InChIInChI=1S/C17H18FN5O2S/c1-11-17(12(2)22-21-11)26(24,25)23-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,23H,9H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyUPCIMNWOEJZWMQ-UHFFFAOYSA-N
XLogP2.97
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113021926
3,5-dimethyl-N-[4-[(4-methylphenyl)methylamino]phenyl]-1H-pyrazole-4-sulfonamide
CID 112982208
5-(dimethylsulfamoylamino)-2-[(4-fluorophenyl)methylamino]pyridine
CID 113012162
3,5-dimethyl-N-[5-(prop-2-enylamino)-2-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113023941
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734
2,4,6-trimethyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113011825
N-[6-(cycloheptylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113014983
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
2-chloro-N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]benzenesulfonamide
CID 113012187
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041658
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 113012183) is N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NCc2ccc(F)cc2)nc1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UPCIMNWOEJZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-11-17(12(2)22-21-11)26(24,25)23-15-7-8-16(20-10-15)19-9-13-3-5-14(18)6-4-13/h3-8,10,23H,9H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113012183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).