N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide

C13H14ClNO3S2 — CID 99698254

IUPACN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3S2/c1-18-12(10-5-2-3-6-11(10)14)9-15-20(16,17)13-7-4-8-19-13/h2-8,12,15H,9H2,1H3/t12-/m1/s1
InChIKeyNAKNVXHQFRMHGG-GFCCVEGCSA-N
MW331.85 g/mol
LogP3.07
Rot. Bonds6

About N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide

N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide (PubChem CID 99698254) has the molecular formula C13H14ClNO3S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
PubChem CID99698254
Molecular FormulaC13H14ClNO3S2
Molecular Weight331.85 g/mol
Exact Mass331.01
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide
SMILESCO[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3S2/c1-18-12(10-5-2-3-6-11(10)14)9-15-20(16,17)13-7-4-8-19-13/h2-8,12,15H,9H2,1H3/t12-/m1/s1
InChIKeyNAKNVXHQFRMHGG-GFCCVEGCSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 26192906
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 71810392
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4-nitrobenzenesulfonamide
CID 90623875
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,4-dimethoxybenzenesulfonamide
CID 90623899
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
CID 97306334
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
1-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99601536
N-(2,2-diphenylethyl)thiophene-2-sulfonamide
CID 4994922
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide (CID 99698254) is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide is CO[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
The InChIKey is NAKNVXHQFRMHGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14ClNO3S2/c1-18-12(10-5-2-3-6-11(10)14)9-15-20(16,17)13-7-4-8-19-13/h2-8,12,15H,9H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide?
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99698254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).