N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide

C15H26N2O2S — CID 43742528

IUPACN-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
SMILESCCC(C)CC(CC)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-12(3)11-13(6-2)17-14-7-9-15(10-8-14)20(18,19)16-4/h7-10,12-13,16-17H,5-6,11H2,1-4H3
InChIKeyJSYNOBUMFYNDBF-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.22
Rot. Bonds8

About N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide

N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide (PubChem CID 43742528) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
PubChem CID43742528
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
SMILESCCC(C)CC(CC)Nc1ccc(S(=O)(=O)NC)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-12(3)11-13(6-2)17-14-7-9-15(10-8-14)20(18,19)16-4/h7-10,12-13,16-17H,5-6,11H2,1-4H3
InChIKeyJSYNOBUMFYNDBF-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-3-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43752075
4-chloro-N-(5-methylheptan-3-yl)aniline
CID 43109712
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-(5-methylheptan-3-yl)-4-phenylaniline
CID 43716868
4-butan-2-yl-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
CID 17388091
N-(5-methylheptan-3-yl)-3-methylsulfonylaniline
CID 54861663
4-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106158902
N-methyl-4-(2-methylpropylamino)benzenesulfonamide
CID 43453809
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282613
4-[1-(furan-2-yl)propylamino]-N-methylbenzenesulfonamide
CID 62631473

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide (CID 43742528) is N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide is CCC(C)CC(CC)Nc1ccc(S(=O)(=O)NC)cc1.
What is the InChIKey of N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide?
The InChIKey is JSYNOBUMFYNDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-12(3)11-13(6-2)17-14-7-9-15(10-8-14)20(18,19)16-4/h7-10,12-13,16-17H,5-6,11H2,1-4H3.
What are the key properties of N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide?
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 43742528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).