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

C11H11ClN2O3S — CID 110714673

IUPAC4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)co1
InChIInChI=1S/C11H11ClN2O3S/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyCDEOUBAJPMFAOD-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.11
Rot. Bonds4

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

4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 110714673) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID110714673
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)co1
InChIInChI=1S/C11H11ClN2O3S/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3
InChIKeyCDEOUBAJPMFAOD-UHFFFAOYSA-N
XLogP2.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714699
5-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714698
5-bromo-N-[(2-methyl-1,3-oxazol-4-yl)methyl]thiophene-2-sulfonamide
CID 110714729
3,5-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110714728
3,4-dimethyl-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110718642
2-methoxy-5-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714688
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
4-chloro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110870210
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122354167
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
CID 81089757
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 110714673) is 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(Cl)cc2)co1.
What is the InChIKey of 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is CDEOUBAJPMFAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-14-10(7-17-8)6-13-18(15,16)11-4-2-9(12)3-5-11/h2-5,7,13H,6H2,1H3.
What are the key properties of 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 286.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110714673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).