N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

C16H23FN4O2S — CID 119993085

IUPACN-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C16H23FN4O2S/c1-3-4-5-13(9-18)20-24(22,23)14-6-7-16(15(17)8-14)21-11-12(2)10-19-21/h6-8,10-11,13,20H,3-5,9,18H2,1-2H3
InChIKeyMJVZKVJGUVTMSE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.12
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide

N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (PubChem CID 119993085) has the molecular formula C16H23FN4O2S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
PubChem CID119993085
Molecular FormulaC16H23FN4O2S
Molecular Weight354.45 g/mol
Exact Mass354.15
IUPAC NameN-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
SMILESCCCCC(CN)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1
InChIInChI=1S/C16H23FN4O2S/c1-3-4-5-13(9-18)20-24(22,23)14-6-7-16(15(17)8-14)21-11-12(2)10-19-21/h6-8,10-11,13,20H,3-5,9,18H2,1-2H3
InChIKeyMJVZKVJGUVTMSE-UHFFFAOYSA-N
XLogP2.12
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 119986182
N-(1-aminohexan-2-yl)-1-(2-methoxyphenyl)pyrazole-4-sulfonamide
CID 119993378
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 126792912
N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120582771
2-[[[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylamino]methyl]-4-methylpentanoic acid
CID 120660555
[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 75431072
3-fluoro-4-(4-methylpyrazol-1-yl)-N-[1-(oxolan-3-yl)prop-2-ynyl]benzenesulfonamide
CID 102563494
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 80697633
N-(1-aminohexan-2-yl)-4-tert-butylbenzenesulfonamide
CID 80697930
5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119993235
N-(1-aminohexan-2-yl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119992966

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide (CID 119993085) is N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is CCCCC(CN)NS(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
The InChIKey is MJVZKVJGUVTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2S/c1-3-4-5-13(9-18)20-24(22,23)14-6-7-16(15(17)8-14)21-11-12(2)10-19-21/h6-8,10-11,13,20H,3-5,9,18H2,1-2H3.
What are the key properties of N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide?
N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 119993085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).