N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

C12H11ClFNO2S2 — CID 4788611

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11ClFNO2S2/c1-15(19(16,17)12-6-3-7-18-12)8-9-10(13)4-2-5-11(9)14/h2-7H,8H2,1H3
InChIKeyBTOUYSBEUMMTTK-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.36
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 4788611) has the molecular formula C12H11ClFNO2S2 and a molecular weight of 319.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID4788611
Molecular FormulaC12H11ClFNO2S2
Molecular Weight319.81 g/mol
Exact Mass318.99
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11ClFNO2S2/c1-15(19(16,17)12-6-3-7-18-12)8-9-10(13)4-2-5-11(9)14/h2-7H,8H2,1H3
InChIKeyBTOUYSBEUMMTTK-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]thiophene-2-sulfonamide
CID 846308
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-benzyl-N-methylthiophene-2-sulfonamide
CID 3157268
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
CID 893794
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
N-[(4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 16377120
3-chloro-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869464
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 112787970
2-(2-Chlorophenyl)-3-(4-fluorobenzenesulfonyl)-1,3-thiazolidine
CID 4227891
N-[(2-chlorophenyl)methyl]thiophene-2-sulfonamide
CID 971284
2-((5-chlorothiophen-2-yl)sulfonyl)-N-(4-fluorobenzyl)acetamide
CID 42100189

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 4788611) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is BTOUYSBEUMMTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S2/c1-15(19(16,17)12-6-3-7-18-12)8-9-10(13)4-2-5-11(9)14/h2-7H,8H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 4788611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).