5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

C11H12F2N4O2S — CID 106016051

IUPAC5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H12F2N4O2S/c12-9-1-7(3-14)2-10(11(9)13)20(18,19)17-6-8-4-15-16-5-8/h1-2,4-5,17H,3,6,14H2,(H,15,16)
InChIKeyLODPJLRUWAUHKL-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.63
Rot. Bonds5

About 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide

5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (PubChem CID 106016051) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
PubChem CID106016051
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H12F2N4O2S/c12-9-1-7(3-14)2-10(11(9)13)20(18,19)17-6-8-4-15-16-5-8/h1-2,4-5,17H,3,6,14H2,(H,15,16)
InChIKeyLODPJLRUWAUHKL-UHFFFAOYSA-N
XLogP0.63
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-2,4-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016034
5-(aminomethyl)-3-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016086
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897316
4-(ethylaminomethyl)-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016137
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503
5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
CID 105122632
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluorobenzenesulfonamide
CID 105122394
3-amino-5-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 114379208
N-(1H-pyrazol-4-ylmethyl)-1-(3,4,5-trifluorophenyl)methanamine
CID 63050204
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide (CID 106016051) is 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is NCc1cc(F)c(F)c(S(=O)(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is LODPJLRUWAUHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c12-9-1-7(3-14)2-10(11(9)13)20(18,19)17-6-8-4-15-16-5-8/h1-2,4-5,17H,3,6,14H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide has a molecular weight of 302.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106016051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).