5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C12H14FN3O2S2 — CID 106060941

IUPAC5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cc(CN)cc(F)c2C)s1
InChIInChI=1S/C12H14FN3O2S2/c1-7-6-15-12(19-7)16-20(17,18)11-4-9(5-14)3-10(13)8(11)2/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyQMOBBGHQRJPPHQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.16
Rot. Bonds4

About 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106060941) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106060941
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cc(CN)cc(F)c2C)s1
InChIInChI=1S/C12H14FN3O2S2/c1-7-6-15-12(19-7)16-20(17,18)11-4-9(5-14)3-10(13)8(11)2/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyQMOBBGHQRJPPHQ-UHFFFAOYSA-N
XLogP2.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-3-fluoro-2-methyl-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081921
3-(aminomethyl)-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106060889
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
5-(aminomethyl)-N-(3-bromo-4-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106075946
5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
2-amino-N-(5-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 16791654
3-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 79187066
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 106079333
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
5-(aminomethyl)-3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylbenzenesulfonamide
CID 106066514

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106060941) is 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2cc(CN)cc(F)c2C)s1.
What is the InChIKey of 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QMOBBGHQRJPPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-7-6-15-12(19-7)16-20(17,18)11-4-9(5-14)3-10(13)8(11)2/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106060941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).