N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide

C14H15ClFNO3S2 — CID 91631035

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1C)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNO3S2/c1-9-7-10(16)3-5-13(9)22(18,19)17-8-11(20-2)12-4-6-14(15)21-12/h3-7,11,17H,8H2,1-2H3
InChIKeyASZOZCAVRCTGQX-UHFFFAOYSA-N
MW363.86 g/mol
LogP3.52
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 91631035) has the molecular formula C14H15ClFNO3S2 and a molecular weight of 363.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID91631035
Molecular FormulaC14H15ClFNO3S2
Molecular Weight363.86 g/mol
Exact Mass363.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1C)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNO3S2/c1-9-7-10(16)3-5-13(9)22(18,19)17-8-11(20-2)12-4-6-14(15)21-12/h3-7,11,17H,8H2,1-2H3
InChIKeyASZOZCAVRCTGQX-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 100729826
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 100729356
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100729524
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methylimidazole-4-sulfonamide
CID 91631055
1-(2-chlorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]methanesulfonamide
CID 121180260
5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
CID 91631065
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100730087
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide (CID 91631035) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(F)cc1C)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is ASZOZCAVRCTGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3S2/c1-9-7-10(16)3-5-13(9)22(18,19)17-8-11(20-2)12-4-6-14(15)21-12/h3-7,11,17H,8H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 363.86 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 91631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).