5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide

C9H9ClN2O3S2 — CID 110714699

IUPAC5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)co1
InChIInChI=1S/C9H9ClN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyDHYSPKPZMHNNHQ-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.18
Rot. Bonds4

About 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110714699) has the molecular formula C9H9ClN2O3S2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID110714699
Molecular FormulaC9H9ClN2O3S2
Molecular Weight292.77 g/mol
Exact Mass291.97
IUPAC Name5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)s2)co1
InChIInChI=1S/C9H9ClN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3
InChIKeyDHYSPKPZMHNNHQ-UHFFFAOYSA-N
XLogP2.18
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110717446
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
5-chloro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110873480
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
N-[(2-methyl-1,3-oxazol-4-yl)methyl]ethanesulfonamide
CID 110714665
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide (CID 110714699) is 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)s2)co1.
What is the InChIKey of 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DHYSPKPZMHNNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3S2/c1-6-12-7(5-15-6)4-11-17(13,14)9-3-2-8(10)16-9/h2-3,5,11H,4H2,1H3.
What are the key properties of 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 292.77 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110714699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).