3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide

C16H19ClN2O3S2 — CID 30835865

IUPAC3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O3S2/c17-13-3-1-4-14(11-13)24(20,21)18-12-15(16-5-2-10-23-16)19-6-8-22-9-7-19/h1-5,10-11,15,18H,6-9,12H2/t15-/m1/s1
InChIKeyITBUPOHAASBGTR-OAHLLOKOSA-N
MW386.93 g/mol
LogP2.75
Rot. Bonds6

About 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide

3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 30835865) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID30835865
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O3S2/c17-13-3-1-4-14(11-13)24(20,21)18-12-15(16-5-2-10-23-16)19-6-8-22-9-7-19/h1-5,10-11,15,18H,6-9,12H2/t15-/m1/s1
InChIKeyITBUPOHAASBGTR-OAHLLOKOSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 31463096
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
N-[(2,4-dichlorophenyl)methyl]-2-morpholin-4-yl-2-thiophen-2-ylethanamine
CID 110826727
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
4-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzene-1,4-disulfonamide
CID 55434495
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 4113188

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 30835865) is 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is O=S(=O)(NC[C@H](c1cccs1)N1CCOCC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is ITBUPOHAASBGTR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c17-13-3-1-4-14(11-13)24(20,21)18-12-15(16-5-2-10-23-16)19-6-8-22-9-7-19/h1-5,10-11,15,18H,6-9,12H2/t15-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 386.93 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30835865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).