5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide

C13H20BrNO3S — CID 54922238

IUPAC5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO3S/c1-5-8-15(10(2)3)19(16,17)13-9-11(14)6-7-12(13)18-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyZTWPTFWPPPIGJZ-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.27
Rot. Bonds6

About 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide

5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 54922238) has the molecular formula C13H20BrNO3S and a molecular weight of 350.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID54922238
Molecular FormulaC13H20BrNO3S
Molecular Weight350.28 g/mol
Exact Mass349.03
IUPAC Name5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C13H20BrNO3S/c1-5-8-15(10(2)3)19(16,17)13-9-11(14)6-7-12(13)18-4/h6-7,9-10H,5,8H2,1-4H3
InChIKeyZTWPTFWPPPIGJZ-UHFFFAOYSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
CID 79470791
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-amino-N-(2-hydroxyethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43577718
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-2-methoxy-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63301153
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 102704372
(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane
CID 131493144

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide (CID 54922238) is 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is ZTWPTFWPPPIGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3S/c1-5-8-15(10(2)3)19(16,17)13-9-11(14)6-7-12(13)18-4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide?
5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 350.28 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 54922238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).