3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide

C19H17BrN2O5S2 — CID 26982440

IUPAC3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17BrN2O5S2/c1-27-19-12-11-17(29(25,26)21-15-9-7-14(20)8-10-15)13-18(19)22-28(23,24)16-5-3-2-4-6-16/h2-13,21-22H,1H3
InChIKeyANVJSIJIOLGNFF-UHFFFAOYSA-N
MW497.39 g/mol
LogP4.06
Rot. Bonds7

About 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide

3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide (PubChem CID 26982440) has the molecular formula C19H17BrN2O5S2 and a molecular weight of 497.39 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
PubChem CID26982440
Molecular FormulaC19H17BrN2O5S2
Molecular Weight497.39 g/mol
Exact Mass495.98
IUPAC Name3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17BrN2O5S2/c1-27-19-12-11-17(29(25,26)21-15-9-7-14(20)8-10-15)13-18(19)22-28(23,24)16-5-3-2-4-6-16/h2-13,21-22H,1H3
InChIKeyANVJSIJIOLGNFF-UHFFFAOYSA-N
XLogP4.06
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-methylbenzenesulfonamide
CID 47310957
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
5-bromo-2-methoxy-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 25048503
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
3-(2-hydroxyethylamino)-4-methoxy-N-phenylbenzenesulfonamide
CID 70612965
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 43880649

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide (CID 26982440) is 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is ANVJSIJIOLGNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O5S2/c1-27-19-12-11-17(29(25,26)21-15-9-7-14(20)8-10-15)13-18(19)22-28(23,24)16-5-3-2-4-6-16/h2-13,21-22H,1H3.
What are the key properties of 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide?
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 497.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 26982440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).