N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C12H9ClN2O4S2 — CID 110733943

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)s3)cc2o1
InChIInChI=1S/C12H9ClN2O4S2/c13-11-4-1-7(20-11)6-14-21(17,18)8-2-3-9-10(5-8)19-12(16)15-9/h1-5,14H,6H2,(H,15,16)
InChIKeyMEZDOWQOVZTTQA-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.31
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110733943) has the molecular formula C12H9ClN2O4S2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110733943
Molecular FormulaC12H9ClN2O4S2
Molecular Weight344.80 g/mol
Exact Mass343.97
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)s3)cc2o1
InChIInChI=1S/C12H9ClN2O4S2/c13-11-4-1-7(20-11)6-14-21(17,18)8-2-3-9-10(5-8)19-12(16)15-9/h1-5,14H,6H2,(H,15,16)
InChIKeyMEZDOWQOVZTTQA-UHFFFAOYSA-N
XLogP2.31
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110786815
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35603405
N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613246
2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110318496
N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110733943) is N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3ccc(Cl)s3)cc2o1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is MEZDOWQOVZTTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S2/c13-11-4-1-7(20-11)6-14-21(17,18)8-2-3-9-10(5-8)19-12(16)15-9/h1-5,14H,6H2,(H,15,16).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 344.80 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110733943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).