5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide

C18H23ClN2O3S2 — CID 41013159

IUPAC5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCCCC2)cc1
InChIInChI=1S/C18H23ClN2O3S2/c1-24-15-7-5-14(6-8-15)16(21-11-3-2-4-12-21)13-20-26(22,23)18-10-9-17(19)25-18/h5-10,16,20H,2-4,11-13H2,1H3/t16-/m1/s1
InChIKeyRADJJKXNUWCXHH-MRXNPFEDSA-N
MW414.98 g/mol
LogP3.92
Rot. Bonds7

About 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide

5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide (PubChem CID 41013159) has the molecular formula C18H23ClN2O3S2 and a molecular weight of 414.98 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
PubChem CID41013159
Molecular FormulaC18H23ClN2O3S2
Molecular Weight414.98 g/mol
Exact Mass414.08
IUPAC Name5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCCCC2)cc1
InChIInChI=1S/C18H23ClN2O3S2/c1-24-15-7-5-14(6-8-15)16(21-11-3-2-4-12-21)13-20-26(22,23)18-10-9-17(19)25-18/h5-10,16,20H,2-4,11-13H2,1H3/t16-/m1/s1
InChIKeyRADJJKXNUWCXHH-MRXNPFEDSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 30836035
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 26942652
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 46799908
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673
2-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169275
5-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 43005379
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55352459
N-[[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]sulfamoyl]propan-1-amine
CID 110620754
4-cyano-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 51169277

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide (CID 41013159) is 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide is COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCCCC2)cc1.
What is the InChIKey of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide?
The InChIKey is RADJJKXNUWCXHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23ClN2O3S2/c1-24-15-7-5-14(6-8-15)16(21-11-3-2-4-12-21)13-20-26(22,23)18-10-9-17(19)25-18/h5-10,16,20H,2-4,11-13H2,1H3/t16-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide?
5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide has a molecular weight of 414.98 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41013159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).