3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide

C14H21ClN2O3S — CID 107091667

IUPAC3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-14(5-7-20-8-6-14)17-21(18,19)12-4-3-11(10-16-2)13(15)9-12/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyUVKHUJAIGKTQDE-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.91
Rot. Bonds5

About 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide

3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide (PubChem CID 107091667) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
PubChem CID107091667
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1Cl
InChIInChI=1S/C14H21ClN2O3S/c1-14(5-7-20-8-6-14)17-21(18,19)12-4-3-11(10-16-2)13(15)9-12/h3-4,9,16-17H,5-8,10H2,1-2H3
InChIKeyUVKHUJAIGKTQDE-UHFFFAOYSA-N
XLogP1.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
1,4-dichloro-N-(4-methyloxan-4-yl)isoquinoline-7-sulfonamide
CID 59106408
3-chloro-4-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073765
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-4-(methylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065296
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
4-[(4-methyloxan-4-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958460
4-N-(4-methyloxan-4-yl)benzene-1,4-disulfonamide
CID 115756410
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479
3-chloro-4-(methylaminomethyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 107091648
4-cyano-3-methyl-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 106833516

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide (CID 107091667) is 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2(C)CCOCC2)cc1Cl.
What is the InChIKey of 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is UVKHUJAIGKTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-14(5-7-20-8-6-14)17-21(18,19)12-4-3-11(10-16-2)13(15)9-12/h3-4,9,16-17H,5-8,10H2,1-2H3.
What are the key properties of 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide?
3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylaminomethyl)-N-(4-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 107091667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).