4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C14H16ClNO3S2 — CID 90598480

IUPAC4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C14H16ClNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3
InChIKeyLDUFMPDWIQHPPS-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.38
Rot. Bonds6

About 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 90598480) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID90598480
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)s1
InChIInChI=1S/C14H16ClNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3
InChIKeyLDUFMPDWIQHPPS-UHFFFAOYSA-N
XLogP3.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]sulfamoyl]benzoate
CID 71810408
4-acetyl-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598487
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417524
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
5-bromo-N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 97417531
1-bromo-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]methanesulfonamide
CID 90598463
4-(1,1-dioxothiazinan-2-yl)-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 97417542
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 71810414
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]naphthalene-2-sulfonamide
CID 121180263
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 100730087

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 90598480) is 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)s1.
What is the InChIKey of 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LDUFMPDWIQHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 345.87 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).