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

C11H11ClN2O3S — CID 71906749

IUPAC2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-8-10(13-7-17-8)6-14-18(15,16)11-5-3-2-4-9(11)12/h2-5,7,14H,6H2,1H3
InChIKeyOTOMFHWZEZBXJC-UHFFFAOYSA-N
MW286.74 g/mol
LogP2.11
Rot. Bonds4

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

2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 71906749) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID71906749
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ocnc1CNS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClN2O3S/c1-8-10(13-7-17-8)6-14-18(15,16)11-5-3-2-4-9(11)12/h2-5,7,14H,6H2,1H3
InChIKeyOTOMFHWZEZBXJC-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

2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzenesulfonamide
CID 75523848
2-chloro-6-methyl-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 138018141
4-bromo-2-fluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 75510151
4-fluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671267
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 47359114
2,5-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 47359129
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 47359133
2,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 47359139
2-[(2-Chlorobenzenesulfonamido)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195619
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 75393201
N-(2,6-dichlorophenyl)sulfonyl-5-ethyl-1,3-oxazole-4-carboxamide
CID 84584476
1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 100667104

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 71906749) is 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1ocnc1CNS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is OTOMFHWZEZBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-8-10(13-7-17-8)6-14-18(15,16)11-5-3-2-4-9(11)12/h2-5,7,14H,6H2,1H3.
What are the key properties of 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
2-chloro-N-[(5-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 2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71906749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).