4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide

C16H26N2O2S — CID 43105411

IUPAC4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
SMILESCC(C)(C)C1CCCCC1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)14-6-4-5-7-15(14)18-12-8-10-13(11-9-12)21(17,19)20/h8-11,14-15,18H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyOYBRQTPFFMGIHR-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.35
Rot. Bonds3

About 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide

4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide (PubChem CID 43105411) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
PubChem CID43105411
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
SMILESCC(C)(C)C1CCCCC1Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)14-6-4-5-7-15(14)18-12-8-10-13(11-9-12)21(17,19)20/h8-11,14-15,18H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyOYBRQTPFFMGIHR-UHFFFAOYSA-N
XLogP3.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide (CID 43105411) is 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide is CC(C)(C)C1CCCCC1Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is OYBRQTPFFMGIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-16(2,3)14-6-4-5-7-15(14)18-12-8-10-13(11-9-12)21(17,19)20/h8-11,14-15,18H,4-7H2,1-3H3,(H2,17,19,20).
What are the key properties of 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide?
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 43105411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).