4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide

C16H26N2O2S — CID 107427895

IUPAC4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
SMILESCC(C)CC1CCCC(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-12(2)10-13-4-3-5-15(11-13)18-14-6-8-16(9-7-14)21(17,19)20/h6-9,12-13,15,18H,3-5,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyOFIXVNMLNOZWDS-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.35
Rot. Bonds5

About 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide

4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide (PubChem CID 107427895) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
PubChem CID107427895
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
SMILESCC(C)CC1CCCC(Nc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C16H26N2O2S/c1-12(2)10-13-4-3-5-15(11-13)18-14-6-8-16(9-7-14)21(17,19)20/h6-9,12-13,15,18H,3-5,10-11H2,1-2H3,(H2,17,19,20)
InChIKeyOFIXVNMLNOZWDS-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide (CID 107427895) is 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide is CC(C)CC1CCCC(Nc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide?
The InChIKey is OFIXVNMLNOZWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12(2)10-13-4-3-5-15(11-13)18-14-6-8-16(9-7-14)21(17,19)20/h6-9,12-13,15,18H,3-5,10-11H2,1-2H3,(H2,17,19,20).
What are the key properties of 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide?
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide is sourced from PubChem (CID 107427895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).