3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide

C10H10F2N4O2S — CID 107343653

IUPAC3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C10H10F2N4O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)16-4-6-3-14-5-15-6/h1-3,5,16H,4,13H2,(H,14,15)
InChIKeyDPBGEZGEZJLBIZ-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.75
Rot. Bonds4

About 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide

3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide (PubChem CID 107343653) has the molecular formula C10H10F2N4O2S and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
PubChem CID107343653
Molecular FormulaC10H10F2N4O2S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
SMILESNc1c(F)ccc(S(=O)(=O)NCc2cnc[nH]2)c1F
InChIInChI=1S/C10H10F2N4O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)16-4-6-3-14-5-15-6/h1-3,5,16H,4,13H2,(H,14,15)
InChIKeyDPBGEZGEZJLBIZ-UHFFFAOYSA-N
XLogP0.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069704
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 116529137
3-amino-2,4-difluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 107343564
5-[(sulfamoylamino)methyl]-1H-imidazole
CID 57034342
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-2,4-difluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 107343575
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 107343635
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039
3-(aminomethyl)-5-chloro-N-(1H-imidazol-5-ylmethyl)-2-methoxybenzenesulfonamide
CID 106069749
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide (CID 107343653) is 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide is Nc1c(F)ccc(S(=O)(=O)NCc2cnc[nH]2)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is DPBGEZGEZJLBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2S/c11-7-1-2-8(9(12)10(7)13)19(17,18)16-4-6-3-14-5-15-6/h1-3,5,16H,4,13H2,(H,14,15).
What are the key properties of 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 288.28 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107343653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).