5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide

C14H16ClNO4S2 — CID 110291167

IUPAC5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO4S2/c1-16(22(18,19)14-8-7-13(15)21-14)9-12(17)10-3-5-11(20-2)6-4-10/h3-8,12,17H,9H2,1-2H3
InChIKeyGIRGSSXTAARNLN-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.76
Rot. Bonds6

About 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide

5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 110291167) has the molecular formula C14H16ClNO4S2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
PubChem CID110291167
Molecular FormulaC14H16ClNO4S2
Molecular Weight361.87 g/mol
Exact Mass361.02
IUPAC Name5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H16ClNO4S2/c1-16(22(18,19)14-8-7-13(15)21-14)9-12(17)10-3-5-11(20-2)6-4-10/h3-8,12,17H,9H2,1-2H3
InChIKeyGIRGSSXTAARNLN-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999136
4-ethyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291150
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 110291139
5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
CID 78786879
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylcyclopentanesulfonamide
CID 110308806
5-chloro-N-[1-hydroxy-3-(4-methoxyphenyl)butan-2-yl]thiophene-2-sulfonamide
CID 22500888
methyl 3-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]oxynaphthalene-2-carboxylate
CID 31527570
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 134059052
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanol
CID 61089121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide (CID 110291167) is 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide is COc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is GIRGSSXTAARNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4S2/c1-16(22(18,19)14-8-7-13(15)21-14)9-12(17)10-3-5-11(20-2)6-4-10/h3-8,12,17H,9H2,1-2H3.
What are the key properties of 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide?
5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 361.87 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110291167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).