3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide

C12H16ClNO3S — CID 110726898

IUPAC3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-9-2-3-11(8-12(9)13)18(15,16)14-10-4-6-17-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyDJBRFFHDSJELBB-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.11
Rot. Bonds3

About 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide

3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 110726898) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
PubChem CID110726898
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCOCC2)cc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-9-2-3-11(8-12(9)13)18(15,16)14-10-4-6-17-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKeyDJBRFFHDSJELBB-UHFFFAOYSA-N
XLogP2.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-chloro-N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
CID 91796047
2-methyl-4-(oxan-4-ylsulfamoyl)benzenecarbothioamide
CID 106920065
5-chloro-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607304
1-N-(3-chloro-4-methylphenyl)-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 33394628
3-chloro-4-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 112703665
4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
CID 141068088
2-iodo-5-(oxan-4-ylsulfamoyl)benzoic acid
CID 103962332
5-(4-tert-butylphenyl)sulfonyl-2-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 57430364
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide (CID 110726898) is 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is DJBRFFHDSJELBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-2-3-11(8-12(9)13)18(15,16)14-10-4-6-17-7-5-10/h2-3,8,10,14H,4-7H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide?
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 289.78 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 110726898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).