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

C14H12ClN3O3S2 — CID 110319343

IUPAC5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1nnc(CNS(=O)(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C14H12ClN3O3S2/c1-9-4-2-3-5-10(9)14-18-17-12(21-14)8-16-23(19,20)13-7-6-11(15)22-13/h2-7,16H,8H2,1H3
InChIKeyHIRFIESZWNMEID-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.24
Rot. Bonds5

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

5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide (PubChem CID 110319343) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
PubChem CID110319343
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccccc1-c1nnc(CNS(=O)(=O)c2ccc(Cl)s2)o1
InChIInChI=1S/C14H12ClN3O3S2/c1-9-4-2-3-5-10(9)14-18-17-12(21-14)8-16-23(19,20)13-7-6-11(15)22-13/h2-7,16H,8H2,1H3
InChIKeyHIRFIESZWNMEID-UHFFFAOYSA-N
XLogP3.24
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319345
5-methyl-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,2-oxazol-3-amine
CID 110652106
2-chloro-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319996
5-chloro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-sulfonamide
CID 110321140
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110318432
2,6-difluoro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652104
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
1-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 99633329
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
5-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]thiophene-2-sulfonamide
CID 110446126
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide (CID 110319343) is 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide is Cc1ccccc1-c1nnc(CNS(=O)(=O)c2ccc(Cl)s2)o1.
What is the InChIKey of 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is HIRFIESZWNMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-9-4-2-3-5-10(9)14-18-17-12(21-14)8-16-23(19,20)13-7-6-11(15)22-13/h2-7,16H,8H2,1H3.
What are the key properties of 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide?
5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 369.86 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110319343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).