3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide

C19H26N2O2S — CID 112985250

IUPAC3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-5-6-13-20-17-8-10-18(11-9-17)21-24(22,23)19-12-7-15(2)16(3)14-19/h7-12,14,20-21H,4-6,13H2,1-3H3
InChIKeyHZGGWDMWEQCNKG-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.71
Rot. Bonds8

About 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide

3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide (PubChem CID 112985250) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
PubChem CID112985250
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H26N2O2S/c1-4-5-6-13-20-17-8-10-18(11-9-17)21-24(22,23)19-12-7-15(2)16(3)14-19/h7-12,14,20-21H,4-6,13H2,1-3H3
InChIKeyHZGGWDMWEQCNKG-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
5-methyl-N-[4-(pentylamino)phenyl]thiophene-2-sulfonamide
CID 112985267
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
N-[4-[(2S)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697049
N-[4-[(2R)-butan-2-yl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 2697047
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
N-butyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822324
N-heptyl-3,4-dimethylaniline
CID 43129292
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide (CID 112985250) is 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide?
The InChIKey is HZGGWDMWEQCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-4-5-6-13-20-17-8-10-18(11-9-17)21-24(22,23)19-12-7-15(2)16(3)14-19/h7-12,14,20-21H,4-6,13H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112985250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).