4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide

C14H11ClN2O3S — CID 102348080

IUPAC4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCc1ccc2oc(NS(=O)(=O)c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN2O3S/c1-9-2-7-13-12(8-9)16-14(20-13)17-21(18,19)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyUYRIEPJBRXPVAU-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide

4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide (PubChem CID 102348080) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
PubChem CID102348080
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide
SMILESCc1ccc2oc(NS(=O)(=O)c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H11ClN2O3S/c1-9-2-7-13-12(8-9)16-14(20-13)17-21(18,19)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17)
InChIKeyUYRIEPJBRXPVAU-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1,3-benzoxazol-2-yl)amino]ethyl 4-methylbenzenesulfonate
CID 175476050
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
3-methyl-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzenesulfonamide
CID 177345313
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-ethyl-5-methyl-1,3-benzoxazol-2-amine
CID 15684675
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
CID 50879330
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-[3-(2,5-dimethylanilino)quinoxalin-2-yl]benzenesulfonamide
CID 25040610
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
N'-(5-methyl-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 83832910
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide (CID 102348080) is 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide is Cc1ccc2oc(NS(=O)(=O)c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide?
The InChIKey is UYRIEPJBRXPVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-9-2-7-13-12(8-9)16-14(20-13)17-21(18,19)11-5-3-10(15)4-6-11/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide?
4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide has a molecular weight of 322.77 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1,3-benzoxazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 102348080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).