2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H13ClFNO2S2 — CID 134002504

IUPAC2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(15)7-11(13)14/h3-7H,8H2,1-2H3
InChIKeyNOYQYQFTDXWCFR-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 134002504) has the molecular formula C13H13ClFNO2S2 and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID134002504
Molecular FormulaC13H13ClFNO2S2
Molecular Weight333.84 g/mol
Exact Mass333.01
IUPAC Name2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H13ClFNO2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(15)7-11(13)14/h3-7H,8H2,1-2H3
InChIKeyNOYQYQFTDXWCFR-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 61115034
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 51183787
5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 55559463
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
N,2,3-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 51249162
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47148979
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55560237
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 134002504) is 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CN(C)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is NOYQYQFTDXWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2S2/c1-9-5-6-19-12(9)8-16(2)20(17,18)13-4-3-10(15)7-11(13)14/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 134002504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).