N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide

C16H15ClN2O3S2 — CID 53079419

IUPACN-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)s2)c1C
InChIInChI=1S/C16H15ClN2O3S2/c1-9-10(2)18-22-16(9)14-8-15(11(3)23-14)24(20,21)19-13-7-5-4-6-12(13)17/h4-8,19H,1-3H3
InChIKeyDQZLAMZNLZQLKJ-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.78
Rot. Bonds4

About N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide

N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 53079419) has the molecular formula C16H15ClN2O3S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
PubChem CID53079419
Molecular FormulaC16H15ClN2O3S2
Molecular Weight382.89 g/mol
Exact Mass382.02
IUPAC NameN-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)s2)c1C
InChIInChI=1S/C16H15ClN2O3S2/c1-9-10(2)18-22-16(9)14-8-15(11(3)23-14)24(20,21)19-13-7-5-4-6-12(13)17/h4-8,19H,1-3H3
InChIKeyDQZLAMZNLZQLKJ-UHFFFAOYSA-N
XLogP4.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 53079363
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-phenylthiophene-3-sulfonamide
CID 53079426
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide
CID 53079380
N-(2-chlorophenyl)-4-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51042984
5-(aminomethyl)-N-(2-chlorophenyl)-2-methylthiophene-3-sulfonamide
CID 106061940
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284
N-(2-fluorophenyl)-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-3-sulfonamide
CID 53041479
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-fluorophenyl)furan-2-sulfonamide
CID 53085877
N-(2-fluorophenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079461
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840169

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide (CID 53079419) is N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide is Cc1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)c(C)s2)c1C.
What is the InChIKey of N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is DQZLAMZNLZQLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S2/c1-9-10(2)18-22-16(9)14-8-15(11(3)23-14)24(20,21)19-13-7-5-4-6-12(13)17/h4-8,19H,1-3H3.
What are the key properties of N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide?
N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 382.89 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 53079419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).