2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide

C12H12ClN3O4S2 — CID 3265126

IUPAC2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O4S2/c13-8-1-3-9(4-2-8)22(19,20)16-10(7-17)11(18)15-12-14-5-6-21-12/h1-6,10,16-17H,7H2,(H,14,15,18)
InChIKeyQFRLHKUBDKYKMI-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.07
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide

2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 3265126) has the molecular formula C12H12ClN3O4S2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
PubChem CID3265126
Molecular FormulaC12H12ClN3O4S2
Molecular Weight361.83 g/mol
Exact Mass361.00
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(CO)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O4S2/c13-8-1-3-9(4-2-8)22(19,20)16-10(7-17)11(18)15-12-14-5-6-21-12/h1-6,10,16-17H,7H2,(H,14,15,18)
InChIKeyQFRLHKUBDKYKMI-UHFFFAOYSA-N
XLogP1.07
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 1538492
2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
CID 2998088
3-(4-chlorobenzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 7254312
4-[(4-Chloro-benzenesulfonyl)-methyl-amino]-N-thiazol-2-yl-butyramide
CID 2054430
1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 3000044
(2S)-2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
CID 7126280
2-((4-chlorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254249
4-((4-chlorophenyl)sulfonyl)-N-(thiazol-2-yl)butanamide
CID 18586054
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 8083299
2-[(4-fluorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)butanamide
CID 42895889
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N-1,3-thiazol-2-ylglycinamide
CID 973264
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 58198508

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide (CID 3265126) is 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(CO)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QFRLHKUBDKYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O4S2/c13-8-1-3-9(4-2-8)22(19,20)16-10(7-17)11(18)15-12-14-5-6-21-12/h1-6,10,16-17H,7H2,(H,14,15,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide?
2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 361.83 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-3-hydroxy-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3265126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).