2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

C12H13ClN2O3S — CID 138018141

IUPAC2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-4-3-5-10(13)12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyZFPGUJLFPGNJQX-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide

2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 138018141) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID138018141
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)NCc1ocnc1C
InChIInChI=1S/C12H13ClN2O3S/c1-8-4-3-5-10(13)12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3
InChIKeyZFPGUJLFPGNJQX-UHFFFAOYSA-N
XLogP2.42
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671278
4-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671279
1-(4-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110671302
2,5-difluoro-4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 137931672
4-fluoro-3,5-dimethyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 137931673
2-(3-fluorophenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]ethanesulfonamide
CID 138018133
4-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018146
3-(difluoromethyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018149
1-(3-fluoro-4-methylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 138018151
3-fluoro-2-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018164
4-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 69277542
4-Methylbenzenesulfonic acid;(4-methyl-1,3-oxazol-5-yl)methanamine
CID 87763486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide (CID 138018141) is 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)NCc1ocnc1C.
What is the InChIKey of 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is ZFPGUJLFPGNJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-8-4-3-5-10(13)12(8)19(16,17)15-6-11-9(2)14-7-18-11/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide?
2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 138018141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).