3-(benzylamino)-N-methylbenzenesulfonamide

C14H16N2O2S — CID 43688532

IUPAC3-(benzylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c1-15-19(17,18)14-9-5-8-13(10-14)16-11-12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3
InChIKeyRGRCQWDBXCAOLH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.21
Rot. Bonds5

About 3-(benzylamino)-N-methylbenzenesulfonamide

3-(benzylamino)-N-methylbenzenesulfonamide (PubChem CID 43688532) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(benzylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(benzylamino)-N-methylbenzenesulfonamide
PubChem CID43688532
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-(benzylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C14H16N2O2S/c1-15-19(17,18)14-9-5-8-13(10-14)16-11-12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3
InChIKeyRGRCQWDBXCAOLH-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 66416292
3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
3-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 43688507
N-methyl-3-(2-methylpropylamino)benzenesulfonamide
CID 43688509
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
3-[(2,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688508

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(benzylamino)-N-methylbenzenesulfonamide (CID 43688532) is 3-(benzylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(benzylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(benzylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylamino)-N-methylbenzenesulfonamide?
The InChIKey is RGRCQWDBXCAOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-15-19(17,18)14-9-5-8-13(10-14)16-11-12-6-3-2-4-7-12/h2-10,15-16H,11H2,1H3.
What are the key properties of 3-(benzylamino)-N-methylbenzenesulfonamide?
3-(benzylamino)-N-methylbenzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43688532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).