3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C17H19BrN2O6S2 — CID 1349058

IUPAC3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C17H19BrN2O6S2/c1-25-17-7-6-15(12-16(17)18)27(21,22)19-13-2-4-14(5-3-13)28(23,24)20-8-10-26-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyJWDUACFHANDFNR-UHFFFAOYSA-N
MW491.39 g/mol
LogP2.28
Rot. Bonds6

About 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 1349058) has the molecular formula C17H19BrN2O6S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID1349058
Molecular FormulaC17H19BrN2O6S2
Molecular Weight491.39 g/mol
Exact Mass489.99
IUPAC Name3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C17H19BrN2O6S2/c1-25-17-7-6-15(12-16(17)18)27(21,22)19-13-2-4-14(5-3-13)28(23,24)20-8-10-26-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyJWDUACFHANDFNR-UHFFFAOYSA-N
XLogP2.28
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-4-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46772852
[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 24603024
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279
3-iodo-4-methoxy-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 100520095
N-[4-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]phenyl]acetamide
CID 1108171
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 25035866
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100539420
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493
N-[4-(azepan-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 25358932
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 1349058) is 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is JWDUACFHANDFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O6S2/c1-25-17-7-6-15(12-16(17)18)27(21,22)19-13-2-4-14(5-3-13)28(23,24)20-8-10-26-11-9-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 491.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 1349058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).