benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate

C20H23NO4S — CID 100967511

IUPACbenzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
SMILESO=C(OCc1ccccc1)N(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO4S/c22-20(25-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2
InChIKeyWHNGIUQIHMIPPF-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.35
Rot. Bonds5

About benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate

benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate (PubChem CID 100967511) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate.

Molecular Properties

Compound Namebenzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
PubChem CID100967511
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Namebenzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate
SMILESO=C(OCc1ccccc1)N(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23NO4S/c22-20(25-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2
InChIKeyWHNGIUQIHMIPPF-UHFFFAOYSA-N
XLogP4.35
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-[(2S,3R)-4-[benzenesulfonyl(cyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 508285
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146
benzyl N-(benzenesulfonylmethyl)-N-hydroxycarbamate
CID 102339800
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-cyclohexylbenzenesulfonamide
CID 10222783
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl 2-[cyclohexyl-(2-hydroxyacetyl)amino]acetate
CID 69287668
benzyl N-(2-aminoacetyl)-N-(2,6-dihydroxycyclohexyl)carbamate
CID 67867959
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428

Frequently Asked Questions

What is the IUPAC name of benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate?
The IUPAC name of benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate (CID 100967511) is benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate.
What is the SMILES notation for benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate?
The canonical SMILES for benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate is O=C(OCc1ccccc1)N(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate?
The InChIKey is WHNGIUQIHMIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c22-20(25-16-17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)26(23,24)19-14-8-3-9-15-19/h1,3-5,8-11,14-15,18H,2,6-7,12-13,16H2.
What are the key properties of benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate?
benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate has a molecular weight of 373.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(benzenesulfonyl)-N-cyclohexylcarbamate is sourced from PubChem (CID 100967511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).