4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide

C19H18FN3O3S — CID 142592346

IUPAC4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
SMILESC[C@H]1Cc2c(c(-c3ccc(S(N)(=O)=O)cc3)nn2-c2ccc(F)cc2)CO1
InChIInChI=1S/C19H18FN3O3S/c1-12-10-18-17(11-26-12)19(13-2-8-16(9-3-13)27(21,24)25)22-23(18)15-6-4-14(20)5-7-15/h2-9,12H,10-11H2,1H3,(H2,21,24,25)/t12-/m0/s1
InChIKeyBSEZDNNDMFWAJI-LBPRGKRZSA-N
MW387.44 g/mol
LogP2.79
Rot. Bonds3

About 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide

4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide (PubChem CID 142592346) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
PubChem CID142592346
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide
SMILESC[C@H]1Cc2c(c(-c3ccc(S(N)(=O)=O)cc3)nn2-c2ccc(F)cc2)CO1
InChIInChI=1S/C19H18FN3O3S/c1-12-10-18-17(11-26-12)19(13-2-8-16(9-3-13)27(21,24)25)22-23(18)15-6-4-14(20)5-7-15/h2-9,12H,10-11H2,1H3,(H2,21,24,25)/t12-/m0/s1
InChIKeyBSEZDNNDMFWAJI-LBPRGKRZSA-N
XLogP2.79
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethynyl]-N-methylpyridine-3-sulfonamide
CID 150704406
N-ethyl-6-[2-[1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethynyl]pyridine-3-sulfonamide
CID 153325690
(6R)-1-(4-chloro-3-fluorophenyl)-3-(2,6-dimethyl-4-pyridinyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 142592578
4-[2-[(6S)-1-[3-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethynyl]benzenesulfonamide
CID 153325669
(7R)-1-(3-chloro-4-fluorophenyl)-7-methyl-3-(4-methylsulfanylphenyl)-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazole
CID 142592536
(6S)-1-(3-chloro-4-fluorophenyl)-3-iodo-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 142592470
5-[(7R)-1-(4-chloro-3-fluorophenyl)-7-methyl-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-3-yl]pyridin-2-amine
CID 156689097
4-[5-(4-fluorophenyl)-2-methyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 19698542
1-(4-fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 162534609
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[4-chloro-3,5-bis(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 54241160
3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 76850829

Frequently Asked Questions

What is the IUPAC name of 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide (CID 142592346) is 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide is C[C@H]1Cc2c(c(-c3ccc(S(N)(=O)=O)cc3)nn2-c2ccc(F)cc2)CO1.
What is the InChIKey of 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is BSEZDNNDMFWAJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-10-18-17(11-26-12)19(13-2-8-16(9-3-13)27(21,24)25)22-23(18)15-6-4-14(20)5-7-15/h2-9,12H,10-11H2,1H3,(H2,21,24,25)/t12-/m0/s1.
What are the key properties of 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide?
4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6S)-1-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 142592346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).