2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine

C14H17BrN4O2S — CID 113021518

IUPAC2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
SMILESCc1cc(Br)ccc1Nc1ccc(NS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H17BrN4O2S/c1-10-8-11(15)4-6-13(10)17-14-7-5-12(9-16-14)18-22(20,21)19(2)3/h4-9,18H,1-3H3,(H,16,17)
InChIKeyCYPJTBKSYWYIHL-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine

2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine (PubChem CID 113021518) has the molecular formula C14H17BrN4O2S and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
PubChem CID113021518
Molecular FormulaC14H17BrN4O2S
Molecular Weight385.29 g/mol
Exact Mass384.03
IUPAC Name2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
SMILESCc1cc(Br)ccc1Nc1ccc(NS(=O)(=O)N(C)C)cn1
InChIInChI=1S/C14H17BrN4O2S/c1-10-8-11(15)4-6-13(10)17-14-7-5-12(9-16-14)18-22(20,21)19(2)3/h4-9,18H,1-3H3,(H,16,17)
InChIKeyCYPJTBKSYWYIHL-UHFFFAOYSA-N
XLogP3.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
5-(dimethylsulfamoylamino)-2-(4-methylanilino)pyridine
CID 113016392
5-(dimethylsulfamoylamino)-2-(methylamino)pyridine
CID 115268515
5-(dimethylsulfamoylamino)-2-(2-methoxyanilino)pyridine
CID 113019343
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
6-(4-bromo-2-methylanilino)pyridine-3-carbonitrile
CID 24697637
2-(dimethylsulfamoylamino)-5-(2,4,6-trimethylanilino)pyridine
CID 113032840
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021502
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113021511

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine?
The IUPAC name of 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine (CID 113021518) is 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine is Cc1cc(Br)ccc1Nc1ccc(NS(=O)(=O)N(C)C)cn1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine?
The InChIKey is CYPJTBKSYWYIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2S/c1-10-8-11(15)4-6-13(10)17-14-7-5-12(9-16-14)18-22(20,21)19(2)3/h4-9,18H,1-3H3,(H,16,17).
What are the key properties of 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine?
2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine has a molecular weight of 385.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine is sourced from PubChem (CID 113021518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).