N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide

C15H13ClN2O3S — CID 110760583

IUPACN-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-9-3-4-11(7-13(9)16)18-22(19,20)12-5-6-15-14(8-12)17-10(2)21-15/h3-8,18H,1-2H3
InChIKeyRDPISMCIDADFIU-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.90
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide

N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760583) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
PubChem CID110760583
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2o1
InChIInChI=1S/C15H13ClN2O3S/c1-9-3-4-11(7-13(9)16)18-22(19,20)12-5-6-15-14(8-12)17-10(2)21-15/h3-8,18H,1-2H3
InChIKeyRDPISMCIDADFIU-UHFFFAOYSA-N
XLogP3.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 9240243
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604
N-(1H-indazol-6-yl)-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760607
N-[3-[(2-methyl-1,3-benzoxazol-5-yl)sulfonylamino]phenyl]acetamide
CID 110760599
2-methyl-N-(4-propan-2-yloxyphenyl)-1,3-benzoxazole-5-sulfonamide
CID 110760591
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
2,4-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 69227449
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
3-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 59018206
N-(2-methyl-1,3-benzoxazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 54937098
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide (CID 110760583) is N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)ccc2o1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is RDPISMCIDADFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-9-3-4-11(7-13(9)16)18-22(19,20)12-5-6-15-14(8-12)17-10(2)21-15/h3-8,18H,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide?
N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 336.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-methyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).