5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide

C12H11ClF2N2O2S2 — CID 61125967

IUPAC5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H11ClF2N2O2S2/c1-17(6-7-2-3-12(13)20-7)21(18,19)11-5-10(16)8(14)4-9(11)15/h2-5H,6,16H2,1H3
InChIKeyDNKMRDCYIJUPDU-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.08
Rot. Bonds4

About 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide

5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 61125967) has the molecular formula C12H11ClF2N2O2S2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID61125967
Molecular FormulaC12H11ClF2N2O2S2
Molecular Weight352.82 g/mol
Exact Mass351.99
IUPAC Name5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C12H11ClF2N2O2S2/c1-17(6-7-2-3-12(13)20-7)21(18,19)11-5-10(16)8(14)4-9(11)15/h2-5H,6,16H2,1H3
InChIKeyDNKMRDCYIJUPDU-UHFFFAOYSA-N
XLogP3.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 61125776
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 115421383
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
5-amino-2-chloro-4-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61114334
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-2-sulfonamide
CID 103305076
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
5-amino-2,4-difluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843262

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide (CID 61125967) is 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is DNKMRDCYIJUPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2O2S2/c1-17(6-7-2-3-12(13)20-7)21(18,19)11-5-10(16)8(14)4-9(11)15/h2-5H,6,16H2,1H3.
What are the key properties of 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide?
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 352.82 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 61125967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).