2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C13H19ClN2O3S — CID 63726437

IUPAC2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-10-5-7-19-8-6-10)20(17,18)13-11(14)3-2-4-12(13)15/h2-4,10H,5-9,15H2,1H3
InChIKeyNQHLCLSKTXFFFV-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.97
Rot. Bonds4

About 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 63726437) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID63726437
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-16(9-10-5-7-19-8-6-10)20(17,18)13-11(14)3-2-4-12(13)15/h2-4,10H,5-9,15H2,1H3
InChIKeyNQHLCLSKTXFFFV-UHFFFAOYSA-N
XLogP1.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,3,6-trimethyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 103171510
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
2-amino-6-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82741144
4-amino-2,6-dichloro-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 55125659
2-amino-5-bromo-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725917
4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 61114490
2-amino-6-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
CID 105413706
N-methyl-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 91905220
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
3-chloro-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]benzene-1,2-diamine
CID 115126953

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 63726437) is 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is NQHLCLSKTXFFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-16(9-10-5-7-19-8-6-10)20(17,18)13-11(14)3-2-4-12(13)15/h2-4,10H,5-9,15H2,1H3.
What are the key properties of 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 63726437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).