2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide

C13H22N2O4S2 — CID 62162294

IUPAC2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-4-5-6-9-15-21(18,19)13-10-11(20(3,16)17)7-8-12(13)14-2/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyUHIZBHOJYMKOPR-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.60
Rot. Bonds8

About 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide

2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide (PubChem CID 62162294) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide
PubChem CID62162294
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC Name2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC
InChIInChI=1S/C13H22N2O4S2/c1-4-5-6-9-15-21(18,19)13-10-11(20(3,16)17)7-8-12(13)14-2/h7-8,10,14-15H,4-6,9H2,1-3H3
InChIKeyUHIZBHOJYMKOPR-UHFFFAOYSA-N
XLogP1.60
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
CID 3417830
N-ethyl-2-(methylamino)-5-methylsulfonyl-N-propan-2-ylbenzenesulfonamide
CID 62142912
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058312
N-butan-2-yl-N-methyl-2-(methylamino)-5-methylsulfonylbenzenesulfonamide
CID 62143236
5-(methylamino)-2-nitro-N-pentylbenzenesulfonamide
CID 62162640
N-tridecylbenzenesulfonamide
CID 3514704
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide?
The IUPAC name of 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide (CID 62162294) is 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1NC.
What is the InChIKey of 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide?
The InChIKey is UHIZBHOJYMKOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-5-6-9-15-21(18,19)13-10-11(20(3,16)17)7-8-12(13)14-2/h7-8,10,14-15H,4-6,9H2,1-3H3.
What are the key properties of 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide?
2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide has a molecular weight of 334.46 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-methylsulfonyl-N-pentylbenzenesulfonamide is sourced from PubChem (CID 62162294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).