4-bromo-N-(2-propoxyphenyl)benzenesulfonamide

C15H16BrNO3S — CID 26952096

IUPAC4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-2-11-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-10,17H,2,11H2,1H3
InChIKeyKNDCYICAWMOCHG-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.04
Rot. Bonds6

About 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide

4-bromo-N-(2-propoxyphenyl)benzenesulfonamide (PubChem CID 26952096) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
PubChem CID26952096
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-2-11-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-10,17H,2,11H2,1H3
InChIKeyKNDCYICAWMOCHG-UHFFFAOYSA-N
XLogP4.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-(2-propoxyphenyl)benzenesulfonamide
CID 4828136
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369751
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
N-(2-ethoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454824
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide (CID 26952096) is 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide?
The InChIKey is KNDCYICAWMOCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-2-11-20-15-6-4-3-5-14(15)17-21(18,19)13-9-7-12(16)8-10-13/h3-10,17H,2,11H2,1H3.
What are the key properties of 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide?
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-propoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 26952096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).