2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H16ClN3O3S2 — CID 175233072

IUPAC2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(NC(CO)c2ccccc2)c1Cl
InChIInChI=1S/C17H16ClN3O3S2/c18-16-13(20-14(11-22)12-5-2-1-3-6-12)7-4-8-15(16)26(23,24)21-17-19-9-10-25-17/h1-10,14,20,22H,11H2,(H,19,21)
InChIKeyJHILXIIDOGFQSO-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.74
Rot. Bonds7

About 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 175233072) has the molecular formula C17H16ClN3O3S2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID175233072
Molecular FormulaC17H16ClN3O3S2
Molecular Weight409.92 g/mol
Exact Mass409.03
IUPAC Name2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1cccc(NC(CO)c2ccccc2)c1Cl
InChIInChI=1S/C17H16ClN3O3S2/c18-16-13(20-14(11-22)12-5-2-1-3-6-12)7-4-8-15(16)26(23,24)21-17-19-9-10-25-17/h1-10,14,20,22H,11H2,(H,19,21)
InChIKeyJHILXIIDOGFQSO-UHFFFAOYSA-N
XLogP3.74
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-fluoro-4-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585370
2-(methylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 55044038
4-[[(R)-amino(phenyl)methyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602271
4-[[2-(azetidin-1-yl)-1-phenylethyl]amino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 134586055
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
5-chloro-2-fluoro-4-[[(1S)-2-(3-fluoroazetidin-1-yl)-1-phenylethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 134585227
5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585308
N-[5-(1,3-thiazol-2-ylsulfamoyl)naphthalen-1-yl]acetamide
CID 146763683
4-[[(R)-amino(phenyl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602272
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
N-[1-(2-chlorophenyl)-2-hydroxyethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486445
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 175233072) is 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1cccc(NC(CO)c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is JHILXIIDOGFQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S2/c18-16-13(20-14(11-22)12-5-2-1-3-6-12)7-4-8-15(16)26(23,24)21-17-19-9-10-25-17/h1-10,14,20,22H,11H2,(H,19,21).
What are the key properties of 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 409.92 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-hydroxy-1-phenylethyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 175233072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).