3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide

C12H12ClFN2O3S2 — CID 114625759

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NCc2ccc(Cl)s2)cc1F
InChIInChI=1S/C12H12ClFN2O3S2/c1-19-12-9(14)4-8(5-10(12)15)21(17,18)16-6-7-2-3-11(13)20-7/h2-5,16H,6,15H2,1H3
InChIKeyQXJFXWSPUAQWKB-UHFFFAOYSA-N
MW350.82 g/mol
LogP2.61
Rot. Bonds5

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide (PubChem CID 114625759) has the molecular formula C12H12ClFN2O3S2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide
PubChem CID114625759
Molecular FormulaC12H12ClFN2O3S2
Molecular Weight350.82 g/mol
Exact Mass350.00
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1c(N)cc(S(=O)(=O)NCc2ccc(Cl)s2)cc1F
InChIInChI=1S/C12H12ClFN2O3S2/c1-19-12-9(14)4-8(5-10(12)15)21(17,18)16-6-7-2-3-11(13)20-7/h2-5,16H,6,15H2,1H3
InChIKeyQXJFXWSPUAQWKB-UHFFFAOYSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide with MolForge

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Related Compounds

3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625412
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626258
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682
3-amino-5-fluoro-4-methoxy-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 114626195
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 102704632

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide (CID 114625759) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide is COc1c(N)cc(S(=O)(=O)NCc2ccc(Cl)s2)cc1F.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is QXJFXWSPUAQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S2/c1-19-12-9(14)4-8(5-10(12)15)21(17,18)16-6-7-2-3-11(13)20-7/h2-5,16H,6,15H2,1H3.
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 350.82 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114625759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).