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

C15H20ClFN4O2S — CID 120582771

IUPACN-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2F)c1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-10-7-18-20(9-10)15-5-4-12(6-13(15)16)23(21,22)19-8-14(17)11-2-3-11;/h4-7,9,11,14,19H,2-3,8,17H2,1H3;1H
InChIKeyCAOZFSRSSPRXQJ-UHFFFAOYSA-N
MW374.87 g/mol
LogP1.76
Rot. Bonds6

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

N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride (PubChem CID 120582771) has the molecular formula C15H20ClFN4O2S and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
PubChem CID120582771
Molecular FormulaC15H20ClFN4O2S
Molecular Weight374.87 g/mol
Exact Mass374.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
SMILESCc1cnn(-c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2F)c1.Cl
InChIInChI=1S/C15H19FN4O2S.ClH/c1-10-7-18-20(9-10)15-5-4-12(6-13(15)16)23(21,22)19-8-14(17)11-2-3-11;/h4-7,9,11,14,19H,2-3,8,17H2,1H3;1H
InChIKeyCAOZFSRSSPRXQJ-UHFFFAOYSA-N
XLogP1.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
N-(3,5-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022086
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-(2-methylphenyl)-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 20914788
4-(4-Fluoro-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10734248
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 11567764
N-[(E)-(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 6900184
N-[4-(propan-2-yl)phenyl]-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 6624952

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride (CID 120582771) is N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride is Cc1cnn(-c2ccc(S(=O)(=O)NCC(N)C3CC3)cc2F)c1.Cl.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
The InChIKey is CAOZFSRSSPRXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S.ClH/c1-10-7-18-20(9-10)15-5-4-12(6-13(15)16)23(21,22)19-8-14(17)11-2-3-11;/h4-7,9,11,14,19H,2-3,8,17H2,1H3;1H.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride?
N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120582771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).