3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide

C15H26N2O2S — CID 43684712

IUPAC3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(C)CCC(C)C)c1C
InChIInChI=1S/C15H26N2O2S/c1-10(2)6-7-12(4)17-15-9-14(20(16,18)19)8-11(3)13(15)5/h8-10,12,17H,6-7H2,1-5H3,(H2,16,18,19)
InChIKeyNIXMEEIOYIXWGG-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.19
Rot. Bonds6

About 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide

3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide (PubChem CID 43684712) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
PubChem CID43684712
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(C)CCC(C)C)c1C
InChIInChI=1S/C15H26N2O2S/c1-10(2)6-7-12(4)17-15-9-14(20(16,18)19)8-11(3)13(15)5/h8-10,12,17H,6-7H2,1-5H3,(H2,16,18,19)
InChIKeyNIXMEEIOYIXWGG-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
3-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-methylpropanamide
CID 62727374
N-(2,3-dimethyl-5-sulfamoylphenyl)formamide
CID 64990440
3-(heptan-2-ylamino)-4-methylbenzenesulfonamide
CID 43744136
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide (CID 43684712) is 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NC(C)CCC(C)C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide?
The InChIKey is NIXMEEIOYIXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10(2)6-7-12(4)17-15-9-14(20(16,18)19)8-11(3)13(15)5/h8-10,12,17H,6-7H2,1-5H3,(H2,16,18,19).
What are the key properties of 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide?
3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(5-methylhexan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 43684712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).