(3-tert-butylphenyl)methanesulfonamide

C11H17NO2S — CID 58532418

IUPAC(3-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14)
InChIKeyZAWZXYSRPNIUMH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.77
Rot. Bonds2

About (3-tert-butylphenyl)methanesulfonamide

(3-tert-butylphenyl)methanesulfonamide (PubChem CID 58532418) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is (3-tert-butylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(3-tert-butylphenyl)methanesulfonamide
PubChem CID58532418
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name(3-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1cccc(CS(N)(=O)=O)c1
InChIInChI=1S/C11H17NO2S/c1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14)
InChIKeyZAWZXYSRPNIUMH-UHFFFAOYSA-N
XLogP1.77
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
3-[(3-tert-butylphenyl)methylsulfonyl]-2H-pyrrole
CID 159710549
(3-amino-4-tert-butylphenyl)methanesulfonamide
CID 139784455
2-[(3-tert-butylphenyl)methylsulfonyl-ethylamino]ethanethioamide
CID 19837719
azane;phenylmethanesulfonamide
CID 67842568
CID 68896583
CID 68896583
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
2-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 115047089
(3-tert-butylphenyl)methyl carbonochloridate
CID 174300484
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
phenylmethanesulfonamide;sulfuryl dichloride
CID 174345826

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylphenyl)methanesulfonamide?
The IUPAC name of (3-tert-butylphenyl)methanesulfonamide (CID 58532418) is (3-tert-butylphenyl)methanesulfonamide.
What is the SMILES notation for (3-tert-butylphenyl)methanesulfonamide?
The canonical SMILES for (3-tert-butylphenyl)methanesulfonamide is CC(C)(C)c1cccc(CS(N)(=O)=O)c1.
What is the InChIKey of (3-tert-butylphenyl)methanesulfonamide?
The InChIKey is ZAWZXYSRPNIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)10-6-4-5-9(7-10)8-15(12,13)14/h4-7H,8H2,1-3H3,(H2,12,13,14).
What are the key properties of (3-tert-butylphenyl)methanesulfonamide?
(3-tert-butylphenyl)methanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylphenyl)methanesulfonamide is sourced from PubChem (CID 58532418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).