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

C16H26N2O2S — CID 29302845

IUPAC4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
SMILESCC(C)(C)C1CCC(Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)12-4-6-13(7-5-12)18-14-8-10-15(11-9-14)21(17,19)20/h8-13,18H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyUCBHNXPTTKZIGI-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.35
Rot. Bonds3

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

4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide (PubChem CID 29302845) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
PubChem CID29302845
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
SMILESCC(C)(C)C1CCC(Nc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C16H26N2O2S/c1-16(2,3)12-4-6-13(7-5-12)18-14-8-10-15(11-9-14)21(17,19)20/h8-13,18H,4-7H2,1-3H3,(H2,17,19,20)
InChIKeyUCBHNXPTTKZIGI-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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Related Compounds

4-[(4-tert-butylcyclohexyl)amino]benzoic acid
CID 43139224
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
4-[2-(4-tert-butylcyclohexylidene)hydrazinyl]benzenesulfonamide
CID 3657005
N-(4-tert-butylcyclohexyl)-4-[[4-[(4-tert-butylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199670
4-[(3-methoxycyclobutyl)amino]benzenesulfonamide
CID 106821257
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
4-tert-butyl-N-phenylcycloheptan-1-amine
CID 65090391
2-[4-[(4-tert-butylcyclohexyl)amino]phenyl]ethanol
CID 61237684
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651183
4-[[3-(2-methylpropyl)cyclohexyl]amino]benzenesulfonamide
CID 107427895
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide (CID 29302845) is 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide is CC(C)(C)C1CCC(Nc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is UCBHNXPTTKZIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-16(2,3)12-4-6-13(7-5-12)18-14-8-10-15(11-9-14)21(17,19)20/h8-13,18H,4-7H2,1-3H3,(H2,17,19,20).
What are the key properties of 4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide?
4-[(4-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-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 29302845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).