N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide

C15H17ClFNO2S2 — CID 86808037

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(F)cc1C
InChIInChI=1S/C15H17ClFNO2S2/c1-3-18(9-14-6-7-15(16)21-14)22(19,20)10-12-4-5-13(17)8-11(12)2/h4-8H,3,9-10H2,1-2H3
InChIKeySMWUIRAMBUURPY-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.20
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide (PubChem CID 86808037) has the molecular formula C15H17ClFNO2S2 and a molecular weight of 361.89 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide
PubChem CID86808037
Molecular FormulaC15H17ClFNO2S2
Molecular Weight361.89 g/mol
Exact Mass361.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide
SMILESCCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(F)cc1C
InChIInChI=1S/C15H17ClFNO2S2/c1-3-18(9-14-6-7-15(16)21-14)22(19,20)10-12-4-5-13(17)8-11(12)2/h4-8H,3,9-10H2,1-2H3
InChIKeySMWUIRAMBUURPY-UHFFFAOYSA-N
XLogP4.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylmethanesulfonamide
CID 62020358
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylethanesulfonamide
CID 107650976
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 9301949
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 9301903
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylsulfonylbenzenesulfonamide
CID 134002462
[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-fluorophenyl]methanamine
CID 63289452
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)methylsulfonyl]amino]acetic acid
CID 167969467
2-[(4-fluoro-2-methylphenyl)methylsulfonyl-prop-2-enylamino]acetic acid
CID 167793551
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 61126736
2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
(E)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylethenesulfonamide
CID 9301914

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide (CID 86808037) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide is CCN(Cc1ccc(Cl)s1)S(=O)(=O)Cc1ccc(F)cc1C.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide?
The InChIKey is SMWUIRAMBUURPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2S2/c1-3-18(9-14-6-7-15(16)21-14)22(19,20)10-12-4-5-13(17)8-11(12)2/h4-8H,3,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide has a molecular weight of 361.89 g/mol, XLogP of 4.20, 6 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]-N-ethyl-1-(4-fluoro-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 86808037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).