N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide

C19H21N3O3S2 — CID 124741959

IUPACN-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc2scnc12
InChIInChI=1S/C19H21N3O3S2/c23-27(24,18-8-4-7-17-19(18)20-14-26-17)21-13-16(15-5-2-1-3-6-15)22-9-11-25-12-10-22/h1-8,14,16,21H,9-13H2/t16-/m1/s1
InChIKeyXBCVBPDASKAHPI-MRXNPFEDSA-N
MW403.53 g/mol
LogP2.65
Rot. Bonds6

About N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide (PubChem CID 124741959) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
PubChem CID124741959
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide
SMILESO=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc2scnc12
InChIInChI=1S/C19H21N3O3S2/c23-27(24,18-8-4-7-17-19(18)20-14-26-17)21-13-16(15-5-2-1-3-6-15)22-9-11-25-12-10-22/h1-8,14,16,21H,9-13H2/t16-/m1/s1
InChIKeyXBCVBPDASKAHPI-MRXNPFEDSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]pyrazole-4-sulfonamide
CID 51853490
2,4-difluoro-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 94008610
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfonylbenzenesulfonamide
CID 55558714
8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
CID 47062207
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-(2-morpholin-4-yl-2-phenylethyl)naphthalene-2-sulfonamide
CID 47023208
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide (CID 124741959) is N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide is O=S(=O)(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc2scnc12.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide?
The InChIKey is XBCVBPDASKAHPI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c23-27(24,18-8-4-7-17-19(18)20-14-26-17)21-13-16(15-5-2-1-3-6-15)22-9-11-25-12-10-22/h1-8,14,16,21H,9-13H2/t16-/m1/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide?
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide has a molecular weight of 403.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-phenylethyl]-1,3-benzothiazole-4-sulfonamide is sourced from PubChem (CID 124741959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).