phenyl N-(4-tert-butylphenyl)sulfonylcarbamate

C17H19NO4S — CID 134553479

IUPACphenyl N-(4-tert-butylphenyl)sulfonylcarbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-17(2,3)13-9-11-15(12-10-13)23(20,21)18-16(19)22-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,19)
InChIKeyRJBYUAKELZWILW-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.46
Rot. Bonds3

About phenyl N-(4-tert-butylphenyl)sulfonylcarbamate

phenyl N-(4-tert-butylphenyl)sulfonylcarbamate (PubChem CID 134553479) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is phenyl N-(4-tert-butylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namephenyl N-(4-tert-butylphenyl)sulfonylcarbamate
PubChem CID134553479
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namephenyl N-(4-tert-butylphenyl)sulfonylcarbamate
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-17(2,3)13-9-11-15(12-10-13)23(20,21)18-16(19)22-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,19)
InChIKeyRJBYUAKELZWILW-UHFFFAOYSA-N
XLogP3.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(benzenesulfonyl)carbamate
CID 676519
1-(benzenesulfonyl)-3-(4-tert-butylphenyl)urea
CID 58646054
phenyl N-(2-amino-3-methylphenyl)sulfonylcarbamate
CID 89357894
1-(4-tert-butylphenyl)sulfonyl-3-(2-phenylethyl)urea
CID 141051809
phenyl 4-tert-butylbenzoate
CID 733785
(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
CID 139797591
phenyl N-[2-(2-methoxyethoxy)phenyl]sulfonylcarbamate
CID 71420541
[4-(1-adamantyl)phenyl] N-(benzenesulfonyl)carbamate
CID 4043567
1-[(4-tert-butylphenyl)sulfonylamino]-3-phenylurea
CID 17429773
2-(phenoxycarbonylamino)-2-phenylpropanoic acid
CID 62489572
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
(4-methylphenyl) N-phenoxysulfonylcarbamate
CID 142655832

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-tert-butylphenyl)sulfonylcarbamate?
The IUPAC name of phenyl N-(4-tert-butylphenyl)sulfonylcarbamate (CID 134553479) is phenyl N-(4-tert-butylphenyl)sulfonylcarbamate.
What is the SMILES notation for phenyl N-(4-tert-butylphenyl)sulfonylcarbamate?
The canonical SMILES for phenyl N-(4-tert-butylphenyl)sulfonylcarbamate is CC(C)(C)c1ccc(S(=O)(=O)NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-tert-butylphenyl)sulfonylcarbamate?
The InChIKey is RJBYUAKELZWILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-17(2,3)13-9-11-15(12-10-13)23(20,21)18-16(19)22-14-7-5-4-6-8-14/h4-12H,1-3H3,(H,18,19).
What are the key properties of phenyl N-(4-tert-butylphenyl)sulfonylcarbamate?
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate has a molecular weight of 333.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-tert-butylphenyl)sulfonylcarbamate is sourced from PubChem (CID 134553479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).