5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide

C17H21ClN2O4S2 — CID 30836035

IUPAC5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-23-14-4-2-13(3-5-14)15(20-8-10-24-11-9-20)12-19-26(21,22)17-7-6-16(18)25-17/h2-7,15,19H,8-12H2,1H3/t15-/m0/s1
InChIKeyPDFGLRIEEFAZSW-HNNXBMFYSA-N
MW416.95 g/mol
LogP2.76
Rot. Bonds7

About 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide (PubChem CID 30836035) has the molecular formula C17H21ClN2O4S2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
PubChem CID30836035
Molecular FormulaC17H21ClN2O4S2
Molecular Weight416.95 g/mol
Exact Mass416.06
IUPAC Name5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
SMILESCOc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1
InChIInChI=1S/C17H21ClN2O4S2/c1-23-14-4-2-13(3-5-14)15(20-8-10-24-11-9-20)12-19-26(21,22)17-7-6-16(18)25-17/h2-7,15,19H,8-12H2,1H3/t15-/m0/s1
InChIKeyPDFGLRIEEFAZSW-HNNXBMFYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 41013159
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903369
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
CID 112502616
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55348894
2-methoxy-4,5-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 22694281
2-methoxy-4,5-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 9125340
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
3-chloro-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 31481673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide (CID 30836035) is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide is COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)N2CCOCC2)cc1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
The InChIKey is PDFGLRIEEFAZSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S2/c1-23-14-4-2-13(3-5-14)15(20-8-10-24-11-9-20)12-19-26(21,22)17-7-6-16(18)25-17/h2-7,15,19H,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide?
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide has a molecular weight of 416.95 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 30836035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).