3-amino-N,N-diethyl-4-methylbenzenesulfonamide

C11H18N2O2S — CID 4992115

IUPAC3-amino-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5,12H2,1-3H3
InChIKeyURPZZPGQCSFZLH-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-N,N-diethyl-4-methylbenzenesulfonamide

3-amino-N,N-diethyl-4-methylbenzenesulfonamide (PubChem CID 4992115) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-4-methylbenzenesulfonamide
PubChem CID4992115
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-amino-N,N-diethyl-4-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5,12H2,1-3H3
InChIKeyURPZZPGQCSFZLH-UHFFFAOYSA-N
XLogP1.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Metahexamide
CID 11259
p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
Benzenesulfonamide, 5-amino-N-ethyl-2-methyl-N-phenyl-
CID 96649
Benzenesulfonic acid, 3-amino-4-methyl-
CID 69246
5-amino-N,2-dimethylbenzene-1-sulfonamide
CID 235521
5-Amino-2,N,N-trimethyl-benzenesulfonamide
CID 235529
Benzenesulfono-o-toluidide
CID 87657
2-amino-N,N-dimethyltoluene-4-sulphonamide
CID 235528
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
3-amino-N,N-dimethylbenzene-1-sulfonamide
CID 235520
N-(4-Aminophenyl)-4-methylbenzenesulfonamide
CID 458884

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-4-methylbenzenesulfonamide (CID 4992115) is 3-amino-N,N-diethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-4-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N,N-diethyl-4-methylbenzenesulfonamide?
The InChIKey is URPZZPGQCSFZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-4-13(5-2)16(14,15)10-7-6-9(3)11(12)8-10/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 3-amino-N,N-diethyl-4-methylbenzenesulfonamide?
3-amino-N,N-diethyl-4-methylbenzenesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 4992115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).