N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide

C17H27NO3S — CID 155323144

IUPACN-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC1CCCCC1
InChIInChI=1S/C17H27NO3S/c1-13-12-15(22(19,20)18-17(2,3)4)10-11-16(13)21-14-8-6-5-7-9-14/h10-12,14,18H,5-9H2,1-4H3
InChIKeyLKGYOUMDPRJCMN-UHFFFAOYSA-N
MW325.47 g/mol
LogP3.78
Rot. Bonds4

About N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide

N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide (PubChem CID 155323144) has the molecular formula C17H27NO3S and a molecular weight of 325.47 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
PubChem CID155323144
Molecular FormulaC17H27NO3S
Molecular Weight325.47 g/mol
Exact Mass325.17
IUPAC NameN-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC1CCCCC1
InChIInChI=1S/C17H27NO3S/c1-13-12-15(22(19,20)18-17(2,3)4)10-11-16(13)21-14-8-6-5-7-9-14/h10-12,14,18H,5-9H2,1-4H3
InChIKeyLKGYOUMDPRJCMN-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 155639885
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
N-tert-butyl-3-formyl-4-methoxybenzenesulfonamide
CID 22007151
N-tert-butyl-3-cyclohexyl-1H-indole-6-sulfonamide
CID 23152417
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide (CID 155323144) is N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC1CCCCC1.
What is the InChIKey of N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide?
The InChIKey is LKGYOUMDPRJCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3S/c1-13-12-15(22(19,20)18-17(2,3)4)10-11-16(13)21-14-8-6-5-7-9-14/h10-12,14,18H,5-9H2,1-4H3.
What are the key properties of N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide?
N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide has a molecular weight of 325.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclohexyloxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 155323144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).