4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide

C19H31NO2S — CID 7938165

IUPAC4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C19H31NO2S/c1-14-12-16(19(3,4)5)13-15(2)18(14)23(21,22)20-17-10-8-6-7-9-11-17/h12-13,17,20H,6-11H2,1-5H3
InChIKeyBUGLBOBRDNUYBO-UHFFFAOYSA-N
MW337.53 g/mol
LogP4.60
Rot. Bonds3

About 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide

4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide (PubChem CID 7938165) has the molecular formula C19H31NO2S and a molecular weight of 337.53 g/mol. Its IUPAC name is 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
PubChem CID7938165
Molecular FormulaC19H31NO2S
Molecular Weight337.53 g/mol
Exact Mass337.21
IUPAC Name4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C19H31NO2S/c1-14-12-16(19(3,4)5)13-15(2)18(14)23(21,22)20-17-10-8-6-7-9-11-17/h12-13,17,20H,6-11H2,1-5H3
InChIKeyBUGLBOBRDNUYBO-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
N-cyclopropyl-4-hydroxy-2,6-dimethylbenzenesulfonamide
CID 91800483
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
3-(cyclohexylsulfamoyl)-4,5-dimethylbenzoic acid
CID 43080100
5-bromo-N-cyclohexyl-2-methylbenzenesulfonamide
CID 47113443
N-cyclopropyl-2,6-dimethyl-4-(propylamino)benzenesulfonamide
CID 107328516
2,4,6-trimethyl-N-[4-[[4-[(2,4,6-trimethylphenyl)sulfonylamino]cyclohexyl]methyl]cyclohexyl]benzenesulfonamide
CID 46192720
N-cyclohexyl-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 61222962
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide (CID 7938165) is 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide is Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NC1CCCCCC1.
What is the InChIKey of 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide?
The InChIKey is BUGLBOBRDNUYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2S/c1-14-12-16(19(3,4)5)13-15(2)18(14)23(21,22)20-17-10-8-6-7-9-11-17/h12-13,17,20H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide?
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide has a molecular weight of 337.53 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 7938165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).