2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide

C7H6ClN3O3S2 — CID 81170323

IUPAC2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccon1)c1cnc(Cl)s1
InChIInChI=1S/C7H6ClN3O3S2/c8-7-9-4-6(15-7)16(12,13)10-3-5-1-2-14-11-5/h1-2,4,10H,3H2
InChIKeyKSESPJHVCWQNFD-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.26
Rot. Bonds4

About 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 81170323) has the molecular formula C7H6ClN3O3S2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
PubChem CID81170323
Molecular FormulaC7H6ClN3O3S2
Molecular Weight279.73 g/mol
Exact Mass278.95
IUPAC Name2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccon1)c1cnc(Cl)s1
InChIInChI=1S/C7H6ClN3O3S2/c8-7-9-4-6(15-7)16(12,13)10-3-5-1-2-14-11-5/h1-2,4,10H,3H2
InChIKeyKSESPJHVCWQNFD-UHFFFAOYSA-N
XLogP1.26
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
5-[2-(methylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81174323
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 107230342
4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173428
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 43455847
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide (CID 81170323) is 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCc1ccon1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is KSESPJHVCWQNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O3S2/c8-7-9-4-6(15-7)16(12,13)10-3-5-1-2-14-11-5/h1-2,4,10H,3H2.
What are the key properties of 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 279.73 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-3-ylmethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 81170323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).