[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate

C18H22N2O4S — CID 21409266

IUPAC[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)15-12-13(24-17(21)19-4)10-11-16(15)20-25(22,23)14-8-6-5-7-9-14/h5-12,20H,1-4H3,(H,19,21)
InChIKeyYRNXMOGXAOFUEC-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.50
Rot. Bonds4

About [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate

[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate (PubChem CID 21409266) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate
PubChem CID21409266
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C18H22N2O4S/c1-18(2,3)15-12-13(24-17(21)19-4)10-11-16(15)20-25(22,23)14-8-6-5-7-9-14/h5-12,20H,1-4H3,(H,19,21)
InChIKeyYRNXMOGXAOFUEC-UHFFFAOYSA-N
XLogP3.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonamido)-3,5-dimethoxyphenyl] N-methylcarbamate
CID 21409256
N-tert-butyl-4-[(2-tert-butylphenyl)sulfamoyl]benzamide
CID 109061141
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
phenyl N-(4-tert-butylphenyl)sulfonylcarbamate
CID 134553479
[3-(benzenesulfonamido)-4-ethenylphenyl] benzoate
CID 174548855
[2-(benzenesulfonamido)phenyl] propanoate
CID 68830136
N-[(2-tert-butyl-4-methoxyphenyl)methyl]benzenesulfonamide
CID 4303229
2-(benzenesulfonamido)-4-(trifluoromethoxy)benzoic acid
CID 68866362
[1-[3-[[(2R)-2-[3-(benzenesulfonamido)phenyl]-2-hydroxyethyl]amino]-3-methylbutyl]indol-5-yl] N-methylcarbamate
CID 69123160
N-[2-acetyl-5-(4-tert-butylphenyl)thiophen-3-yl]benzenesulfonamide
CID 2809020
4-[2-[2-(benzenesulfonamido)phenoxy]ethoxy]benzoic acid
CID 68688333
N-(2-amino-4-ethoxyphenyl)benzenesulfonamide
CID 91687393

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate?
The IUPAC name of [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate (CID 21409266) is [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate.
What is the SMILES notation for [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate?
The canonical SMILES for [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate is CNC(=O)Oc1ccc(NS(=O)(=O)c2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate?
The InChIKey is YRNXMOGXAOFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-18(2,3)15-12-13(24-17(21)19-4)10-11-16(15)20-25(22,23)14-8-6-5-7-9-14/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate?
[4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate has a molecular weight of 362.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonamido)-3-tert-butylphenyl] N-methylcarbamate is sourced from PubChem (CID 21409266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).