3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride

C16H22ClFN4O2S — CID 120726749

IUPAC3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2F)c1.Cl
InChIInChI=1S/C16H21FN4O2S.ClH/c1-11-9-19-21(10-11)16-6-5-13(8-14(16)17)24(22,23)20-15-4-3-7-18-12(15)2;/h5-6,8-10,12,15,18,20H,3-4,7H2,1-2H3;1H
InChIKeyRFGIRWZCXABIHJ-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.16
Rot. Bonds4

About 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride

3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride (PubChem CID 120726749) has the molecular formula C16H22ClFN4O2S and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
PubChem CID120726749
Molecular FormulaC16H22ClFN4O2S
Molecular Weight388.90 g/mol
Exact Mass388.11
IUPAC Name3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2F)c1.Cl
InChIInChI=1S/C16H21FN4O2S.ClH/c1-11-9-19-21(10-11)16-6-5-13(8-14(16)17)24(22,23)20-15-4-3-7-18-12(15)2;/h5-6,8-10,12,15,18,20H,3-4,7H2,1-2H3;1H
InChIKeyRFGIRWZCXABIHJ-UHFFFAOYSA-N
XLogP2.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 119986182
3,4-difluoro-N-[(2S,3S)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515718
3-fluoro-4-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726470
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
4-fluoro-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043193
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79043800
2-methyl-N-(2-methylpiperidin-3-yl)-1,3-dioxoisoindole-5-sulfonamide;hydrochloride
CID 120726485
4-fluoro-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120726654
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120582771

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride (CID 120726749) is 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride is Cc1cnn(-c2ccc(S(=O)(=O)NC3CCCNC3C)cc2F)c1.Cl.
What is the InChIKey of 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The InChIKey is RFGIRWZCXABIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S.ClH/c1-11-9-19-21(10-11)16-6-5-13(8-14(16)17)24(22,23)20-15-4-3-7-18-12(15)2;/h5-6,8-10,12,15,18,20H,3-4,7H2,1-2H3;1H.
What are the key properties of 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120726749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).