5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide

C12H9ClN2O4S2 — CID 110786815

IUPAC5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc2o1
InChIInChI=1S/C12H9ClN2O4S2/c13-10-3-4-11(20-10)21(17,18)14-6-7-1-2-9-8(5-7)15-12(16)19-9/h1-5,14H,6H2,(H,15,16)
InChIKeyLTTMNUXOUBFUTJ-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.31
Rot. Bonds4

About 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110786815) has the molecular formula C12H9ClN2O4S2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110786815
Molecular FormulaC12H9ClN2O4S2
Molecular Weight344.80 g/mol
Exact Mass343.97
IUPAC Name5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESO=c1[nH]c2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc2o1
InChIInChI=1S/C12H9ClN2O4S2/c13-10-3-4-11(20-10)21(17,18)14-6-7-1-2-9-8(5-7)15-12(16)19-9/h1-5,14H,6H2,(H,15,16)
InChIKeyLTTMNUXOUBFUTJ-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

5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
5-(hydrazinylmethyl)-3H-1,3-benzoxazol-2-one
CID 116932358
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-[(sulfanylmethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115227979
4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
5-[(2-aminoethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115195344
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]cyclopropanecarboxamide
CID 110786705
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
5-chloro-N-[[1-(cyclopropylmethyl)-4-methyl-2-oxo-4H-3,1-benzoxazin-6-yl]methyl]thiophene-2-sulfonamide
CID 155182715

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide (CID 110786815) is 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide is O=c1[nH]c2cc(CNS(=O)(=O)c3ccc(Cl)s3)ccc2o1.
What is the InChIKey of 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is LTTMNUXOUBFUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S2/c13-10-3-4-11(20-10)21(17,18)14-6-7-1-2-9-8(5-7)15-12(16)19-9/h1-5,14H,6H2,(H,15,16).
What are the key properties of 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-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 5-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110786815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).