5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide

C16H19BrN2O5S2 — CID 4816105

IUPAC5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O5S2/c1-11-5-6-12(9-16(11)26(22,23)19(2)3)18-25(20,21)13-7-8-15(24-4)14(17)10-13/h5-10,18H,1-4H3
InChIKeyDFVWVOLZFBGXSU-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.82
Rot. Bonds6

About 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide

5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide (PubChem CID 4816105) has the molecular formula C16H19BrN2O5S2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
PubChem CID4816105
Molecular FormulaC16H19BrN2O5S2
Molecular Weight463.38 g/mol
Exact Mass461.99
IUPAC Name5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O5S2/c1-11-5-6-12(9-16(11)26(22,23)19(2)3)18-25(20,21)13-7-8-15(24-4)14(17)10-13/h5-10,18H,1-4H3
InChIKeyDFVWVOLZFBGXSU-UHFFFAOYSA-N
XLogP2.82
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
CID 4875200
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943715
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The IUPAC name of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide (CID 4816105) is 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1Br.
What is the InChIKey of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
The InChIKey is DFVWVOLZFBGXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O5S2/c1-11-5-6-12(9-16(11)26(22,23)19(2)3)18-25(20,21)13-7-8-15(24-4)14(17)10-13/h5-10,18H,1-4H3.
What are the key properties of 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide?
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide has a molecular weight of 463.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide is sourced from PubChem (CID 4816105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).