5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

C10H10ClFN4O2S — CID 62537243

IUPAC5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFN4O2S/c11-7-3-6(1-2-8(7)12)4-15-19(17,18)9-5-14-16-10(9)13/h1-3,5,15H,4H2,(H3,13,14,16)
InChIKeyXCEJDMDQNOYMRH-UHFFFAOYSA-N
MW304.73 g/mol
LogP1.26
Rot. Bonds4

About 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62537243) has the molecular formula C10H10ClFN4O2S and a molecular weight of 304.73 g/mol. Its IUPAC name is 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID62537243
Molecular FormulaC10H10ClFN4O2S
Molecular Weight304.73 g/mol
Exact Mass304.02
IUPAC Name5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10ClFN4O2S/c11-7-3-6(1-2-8(7)12)4-15-19(17,18)9-5-14-16-10(9)13/h1-3,5,15H,4H2,(H3,13,14,16)
InChIKeyXCEJDMDQNOYMRH-UHFFFAOYSA-N
XLogP1.26
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 107229545
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61105229
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
5-amino-N-[2-(4-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 60808924
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
N-[(3-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62533973
5-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylfuran-3-sulfonamide
CID 106055528
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106055543
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide (CID 62537243) is 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XCEJDMDQNOYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O2S/c11-7-3-6(1-2-8(7)12)4-15-19(17,18)9-5-14-16-10(9)13/h1-3,5,15H,4H2,(H3,13,14,16).
What are the key properties of 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 304.73 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-chloro-4-fluorophenyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62537243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).