N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide

C13H19NO3S — CID 155936750

IUPACN,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@H]2CCCOC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)14(2)12-4-3-9-17-10-12/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyIUSCFDSNFBKEQT-LBPRGKRZSA-N
MW269.37 g/mol
LogP1.79
Rot. Bonds3

About N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide

N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide (PubChem CID 155936750) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide
PubChem CID155936750
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)[C@H]2CCCOC2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)14(2)12-4-3-9-17-10-12/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyIUSCFDSNFBKEQT-LBPRGKRZSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,4-dimethyl-N-[(3S)-oxan-3-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

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide (CID 155936750) is N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCOC2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide?
The InChIKey is IUSCFDSNFBKEQT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-5-7-13(8-6-11)18(15,16)14(2)12-4-3-9-17-10-12/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide?
N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(3S)-oxan-3-yl]benzenesulfonamide is sourced from PubChem (CID 155936750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).