3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide

C15H13ClN2O3S — CID 110785208

IUPAC3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-10-18-14-6-5-11(7-15(14)21-10)9-17-22(19,20)13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyJIIKSPLSNYXECG-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.27
Rot. Bonds4

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

3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide (PubChem CID 110785208) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
PubChem CID110785208
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-10-18-14-6-5-11(7-15(14)21-10)9-17-22(19,20)13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3
InChIKeyJIIKSPLSNYXECG-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
3-chloro-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672345
5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
CID 110785192
3-chloro-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]benzenesulfonamide
CID 110786053
3,5-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110785205
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]benzenesulfonamide
CID 46696278
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
3-chloro-N-(1H-indol-6-ylmethyl)benzenesulfonamide
CID 169029479
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide (CID 110785208) is 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide is Cc1nc2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2o1.
What is the InChIKey of 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is JIIKSPLSNYXECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-10-18-14-6-5-11(7-15(14)21-10)9-17-22(19,20)13-4-2-3-12(16)8-13/h2-8,17H,9H2,1H3.
What are the key properties of 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide?
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).