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

C15H13ClN2O3S2 — CID 53057069

IUPACN-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1-c1ccno1
InChIInChI=1S/C15H13ClN2O3S2/c1-9-14(13-7-8-17-21-13)15(10(2)22-9)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyMWFJSFNJVHLRGH-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.47
Rot. Bonds4

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

N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057069) has the molecular formula C15H13ClN2O3S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057069
Molecular FormulaC15H13ClN2O3S2
Molecular Weight368.87 g/mol
Exact Mass368.01
IUPAC NameN-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1sc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1-c1ccno1
InChIInChI=1S/C15H13ClN2O3S2/c1-9-14(13-7-8-17-21-13)15(10(2)22-9)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3
InChIKeyMWFJSFNJVHLRGH-UHFFFAOYSA-N
XLogP4.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057084
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057168
N-(4-bromo-2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057098
N-(4-fluorophenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057200
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057236
N-(4-chlorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 4644491
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057307
N-(4-methoxyphenyl)-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079438
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-ethoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057314
methyl 4-[[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]sulfonylamino]benzoate
CID 53079541
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057069) is N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1sc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1-c1ccno1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is MWFJSFNJVHLRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S2/c1-9-14(13-7-8-17-21-13)15(10(2)22-9)23(19,20)18-12-5-3-11(16)4-6-12/h3-8,18H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).