N,4-dimethyl-3-(pentylamino)benzenesulfonamide

C13H22N2O2S — CID 43752016

IUPACN,4-dimethyl-3-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-6-9-15-13-10-12(8-7-11(13)2)18(16,17)14-3/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyNRIMXJIXNMCMCI-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.51
Rot. Bonds7

About N,4-dimethyl-3-(pentylamino)benzenesulfonamide

N,4-dimethyl-3-(pentylamino)benzenesulfonamide (PubChem CID 43752016) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,4-dimethyl-3-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-(pentylamino)benzenesulfonamide
PubChem CID43752016
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,4-dimethyl-3-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1cc(S(=O)(=O)NC)ccc1C
InChIInChI=1S/C13H22N2O2S/c1-4-5-6-9-15-13-10-12(8-7-11(13)2)18(16,17)14-3/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyNRIMXJIXNMCMCI-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.51
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

3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
N,4-dimethyl-3-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 43792529
N,4-dimethyl-3-(3-methylbutan-2-ylamino)benzenesulfonamide
CID 43752081
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
2-(ethylamino)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 62831773
4-amino-N-methyl-3-(3-sulfamoylpropylamino)benzenesulfonamide
CID 82900018
(2R)-2-amino-N-[2-methyl-5-(methylsulfamoyl)phenyl]pentanamide
CID 103795500
N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
CID 62743098
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(pentylamino)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-(pentylamino)benzenesulfonamide (CID 43752016) is N,4-dimethyl-3-(pentylamino)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-(pentylamino)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-(pentylamino)benzenesulfonamide is CCCCCNc1cc(S(=O)(=O)NC)ccc1C.
What is the InChIKey of N,4-dimethyl-3-(pentylamino)benzenesulfonamide?
The InChIKey is NRIMXJIXNMCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-5-6-9-15-13-10-12(8-7-11(13)2)18(16,17)14-3/h7-8,10,14-15H,4-6,9H2,1-3H3.
What are the key properties of N,4-dimethyl-3-(pentylamino)benzenesulfonamide?
N,4-dimethyl-3-(pentylamino)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 43752016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).