4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide

C16H28N2O2S — CID 61470913

IUPAC4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-13(2)6-5-7-14(3)18-21(19,20)16-10-8-15(9-11-16)12-17-4/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyKYTBELRGPMERFX-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.90
Rot. Bonds9

About 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide

4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61470913) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61470913
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-13(2)6-5-7-14(3)18-21(19,20)16-10-8-15(9-11-16)12-17-4/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyKYTBELRGPMERFX-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470475
4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61470913) is 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC(C)CCCC(C)C)cc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is KYTBELRGPMERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-13(2)6-5-7-14(3)18-21(19,20)16-10-8-15(9-11-16)12-17-4/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61470913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).