N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide

C17H17FN4O2S — CID 139391689

IUPACN-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11-9-14(22-25(2,23)24)7-8-15(11)19-17-10-16(20-21-17)12-3-5-13(18)6-4-12/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyVFCVLFYRPLYRJR-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.64
Rot. Bonds5

About N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide

N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide (PubChem CID 139391689) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide
PubChem CID139391689
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide
SMILESCc1cc(NS(C)(=O)=O)ccc1Nc1cc(-c2ccc(F)cc2)[nH]n1
InChIInChI=1S/C17H17FN4O2S/c1-11-9-14(22-25(2,23)24)7-8-15(11)19-17-10-16(20-21-17)12-3-5-13(18)6-4-12/h3-10,22H,1-2H3,(H2,19,20,21)
InChIKeyVFCVLFYRPLYRJR-UHFFFAOYSA-N
XLogP3.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-{[3-(4-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539618
4-{[3-(3-methanesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539621
Anilinopyrazole deriv. 1n
CID 6539622
4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539623
4-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539627
4-{[3-(3-aminophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539632
N-(4-{[3-(3-bromophenyl)-1H-pyrazol-5-yl]amino}phenyl)methanesulfonamide
CID 6539625
3-{[3-(4-fluorophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539626
7-Fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135484509
7-Fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002531
5-(2-Fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002667
4-({3-[4-(dimethylamino)phenyl]-1H-pyrazol-5-yl}amino)benzene-1-sulfonamide
CID 6539628

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide (CID 139391689) is N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide is Cc1cc(NS(C)(=O)=O)ccc1Nc1cc(-c2ccc(F)cc2)[nH]n1.
What is the InChIKey of N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide?
The InChIKey is VFCVLFYRPLYRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-11-9-14(22-25(2,23)24)7-8-15(11)19-17-10-16(20-21-17)12-3-5-13(18)6-4-12/h3-10,22H,1-2H3,(H2,19,20,21).
What are the key properties of N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide?
N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]methanesulfonamide is sourced from PubChem (CID 139391689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).