N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide

C18H29NO4S — CID 22772433

IUPACN-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C18H29NO4S/c1-18(2,3)13-6-8-14(9-7-13)19-24(20,21)15-10-11-16(22-4)17(12-15)23-5/h10-14,19H,6-9H2,1-5H3
InChIKeyGTIQZZLGUONJMO-UHFFFAOYSA-N
MW355.50 g/mol
LogP3.59
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide

N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 22772433) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID22772433
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC NameN-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1OC
InChIInChI=1S/C18H29NO4S/c1-18(2,3)13-6-8-14(9-7-13)19-24(20,21)15-10-11-16(22-4)17(12-15)23-5/h10-14,19H,6-9H2,1-5H3
InChIKeyGTIQZZLGUONJMO-UHFFFAOYSA-N
XLogP3.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylcyclohexyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18549144
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3,4-dimethoxybenzenesulfonamide
CID 90635010
N-[(1R)-1-cyano-1-cyclopropylethyl]-3,4-dimethoxybenzenesulfonamide
CID 8795871
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide (CID 22772433) is N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCC(C(C)(C)C)CC2)cc1OC.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is GTIQZZLGUONJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4S/c1-18(2,3)13-6-8-14(9-7-13)19-24(20,21)15-10-11-16(22-4)17(12-15)23-5/h10-14,19H,6-9H2,1-5H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide?
N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 355.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22772433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).