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

C15H18ClNO4S2 — CID 97417524

IUPAC3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](OC)c2ccc(C)s2)cc1Cl
InChIInChI=1S/C15H18ClNO4S2/c1-10-4-7-15(22-10)14(21-3)9-17-23(18,19)11-5-6-13(20-2)12(16)8-11/h4-8,14,17H,9H2,1-3H3/t14-/m0/s1
InChIKeyVLKTUAHCEWJMDA-AWEZNQCLSA-N
MW375.90 g/mol
LogP3.38
Rot. Bonds7

About 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 97417524) has the molecular formula C15H18ClNO4S2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID97417524
Molecular FormulaC15H18ClNO4S2
Molecular Weight375.90 g/mol
Exact Mass375.04
IUPAC Name3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](OC)c2ccc(C)s2)cc1Cl
InChIInChI=1S/C15H18ClNO4S2/c1-10-4-7-15(22-10)14(21-3)9-17-23(18,19)11-5-6-13(20-2)12(16)8-11/h4-8,14,17H,9H2,1-3H3/t14-/m0/s1
InChIKeyVLKTUAHCEWJMDA-AWEZNQCLSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 90598480
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
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
5-[[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]sulfamoyl]-2-methoxybenzamide
CID 91631065
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97417544
3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
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]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 100729524
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 97417524) is 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](OC)c2ccc(C)s2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is VLKTUAHCEWJMDA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClNO4S2/c1-10-4-7-15(22-10)14(21-3)9-17-23(18,19)11-5-6-13(20-2)12(16)8-11/h4-8,14,17H,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 375.90 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97417524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).