2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide

C12H13ClN2O3S2 — CID 136585419

IUPAC2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H13ClN2O3S2/c1-8(16)7-14-20(17,18)11-10(15-12(13)19-11)9-5-3-2-4-6-9/h2-6,8,14,16H,7H2,1H3/t8-/m0/s1
InChIKeyFSNLUQZXHFDGHD-QMMMGPOBSA-N
MW332.83 g/mol
LogP2.12
Rot. Bonds5

About 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 136585419) has the molecular formula C12H13ClN2O3S2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide
PubChem CID136585419
Molecular FormulaC12H13ClN2O3S2
Molecular Weight332.83 g/mol
Exact Mass332.01
IUPAC Name2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide
SMILESC[C@H](O)CNS(=O)(=O)c1sc(Cl)nc1-c1ccccc1
InChIInChI=1S/C12H13ClN2O3S2/c1-8(16)7-14-20(17,18)11-10(15-12(13)19-11)9-5-3-2-4-6-9/h2-6,8,14,16H,7H2,1H3/t8-/m0/s1
InChIKeyFSNLUQZXHFDGHD-QMMMGPOBSA-N
XLogP2.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methyl-N-(2-phenylpropyl)-1,3-thiazole-5-sulfonamide
CID 42956033
N-[(2R)-2-hydroxypropyl]-2-methyl-5-phenyl-1,3-thiazole-4-sulfonamide
CID 127266910
4-[(2-chloro-4-phenyl-1,3-thiazol-5-yl)sulfonylamino]benzamide
CID 167805479
2,4-dichloro-N-(2-hydroxypropyl)quinoline-3-sulfonamide
CID 136557762
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-2-hydroxypropanamide
CID 106173704
2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 91822166
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide
CID 90320120
2-chloro-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 43456084
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide (CID 136585419) is 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide is C[C@H](O)CNS(=O)(=O)c1sc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide?
The InChIKey is FSNLUQZXHFDGHD-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13ClN2O3S2/c1-8(16)7-14-20(17,18)11-10(15-12(13)19-11)9-5-3-2-4-6-9/h2-6,8,14,16H,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 332.83 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-hydroxypropyl]-4-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 136585419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).