2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C7H11ClN2O4S2 — CID 65314751

IUPAC2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C7H11ClN2O4S2/c1-4-6(15-7(8)9-4)16(13,14)10-5(2-11)3-12/h5,10-12H,2-3H2,1H3
InChIKeyZOWCSXSCQXAFKX-UHFFFAOYSA-N
MW286.76 g/mol
LogP-0.26
Rot. Bonds5

About 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 65314751) has the molecular formula C7H11ClN2O4S2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID65314751
Molecular FormulaC7H11ClN2O4S2
Molecular Weight286.76 g/mol
Exact Mass285.98
IUPAC Name2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)NC(CO)CO
InChIInChI=1S/C7H11ClN2O4S2/c1-4-6(15-7(8)9-4)16(13,14)10-5(2-11)3-12/h5,10-12H,2-3H2,1H3
InChIKeyZOWCSXSCQXAFKX-UHFFFAOYSA-N
XLogP-0.26
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 65314751) is 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)NC(CO)CO.
What is the InChIKey of 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZOWCSXSCQXAFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O4S2/c1-4-6(15-7(8)9-4)16(13,14)10-5(2-11)3-12/h5,10-12H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 286.76 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 65314751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).