2-methoxy-3-(2-methylpropyl)benzenesulfonamide

C11H17NO3S — CID 141351219

IUPAC2-methoxy-3-(2-methylpropyl)benzenesulfonamide
SMILESCOc1c(CC(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-8(2)7-9-5-4-6-10(11(9)15-3)16(12,13)14/h4-6,8H,7H2,1-3H3,(H2,12,13,14)
InChIKeyOYFVYRXYXANYDS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.54
Rot. Bonds4

About 2-methoxy-3-(2-methylpropyl)benzenesulfonamide

2-methoxy-3-(2-methylpropyl)benzenesulfonamide (PubChem CID 141351219) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methoxy-3-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-3-(2-methylpropyl)benzenesulfonamide
PubChem CID141351219
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methoxy-3-(2-methylpropyl)benzenesulfonamide
SMILESCOc1c(CC(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-8(2)7-9-5-4-6-10(11(9)15-3)16(12,13)14/h4-6,8H,7H2,1-3H3,(H2,12,13,14)
InChIKeyOYFVYRXYXANYDS-UHFFFAOYSA-N
XLogP1.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-methyl-3-(2-methylpropyl)benzene
CID 14665596
2,3-dimethoxybenzenesulfonamide;hydrochloride
CID 142896136
1-(aminosulfonimidoyl)-2-(2-methylpropyl)benzene
CID 162446270
2-(2-amino-3-methylbutyl)benzenesulfonamide
CID 63197534
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
2-(2-amino-3-methoxypropyl)benzenesulfonamide
CID 63197223
1-methoxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10613716
5-(2-methylpropyl)naphthalen-1-amine
CID 134233133
4-bromo-2,5-bis(2-methylpropyl)benzenesulfonamide
CID 21492092
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
sodium 1,5-bis(2-methylpropyl)naphthalene-2-sulfonate
CID 101397592
azane;naphthalene-1-sulfonamide
CID 174765300

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-3-(2-methylpropyl)benzenesulfonamide (CID 141351219) is 2-methoxy-3-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-3-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-3-(2-methylpropyl)benzenesulfonamide is COc1c(CC(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-3-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OYFVYRXYXANYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(2)7-9-5-4-6-10(11(9)15-3)16(12,13)14/h4-6,8H,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-methoxy-3-(2-methylpropyl)benzenesulfonamide?
2-methoxy-3-(2-methylpropyl)benzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 141351219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).