N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide

C12H10ClF2NO2S2 — CID 9302132

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10ClF2NO2S2/c1-16(7-8-2-5-12(13)19-8)20(17,18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyLGMZOASZMPBJFP-UHFFFAOYSA-N
MW337.80 g/mol
LogP3.50
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 9302132) has the molecular formula C12H10ClF2NO2S2 and a molecular weight of 337.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
PubChem CID9302132
Molecular FormulaC12H10ClF2NO2S2
Molecular Weight337.80 g/mol
Exact Mass336.98
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H10ClF2NO2S2/c1-16(7-8-2-5-12(13)19-8)20(17,18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3
InChIKeyLGMZOASZMPBJFP-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.80
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 61125776
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 115421383
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 31534598
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyanomethyl)-N-methylbenzenesulfonamide
CID 79185686
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697383
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-4-methoxy-N-methylbenzenesulfonamide
CID 37498744

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide (CID 9302132) is N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is LGMZOASZMPBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO2S2/c1-16(7-8-2-5-12(13)19-8)20(17,18)9-3-4-10(14)11(15)6-9/h2-6H,7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 337.80 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 9302132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).