N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide

C16H20BrN3O2S — CID 113021517

IUPACN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H20BrN3O2S/c1-3-4-9-23(21,22)20-14-6-8-16(18-11-14)19-15-7-5-13(17)10-12(15)2/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeySCEFQKMRCACOBE-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.44
Rot. Bonds7

About N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide

N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113021517) has the molecular formula C16H20BrN3O2S and a molecular weight of 398.33 g/mol. Its IUPAC name is N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
PubChem CID113021517
Molecular FormulaC16H20BrN3O2S
Molecular Weight398.33 g/mol
Exact Mass397.05
IUPAC NameN-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2C)nc1
InChIInChI=1S/C16H20BrN3O2S/c1-3-4-9-23(21,22)20-14-6-8-16(18-11-14)19-15-7-5-13(17)10-12(15)2/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19)
InChIKeySCEFQKMRCACOBE-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylanilino)-5-(dimethylsulfamoylamino)pyridine
CID 113021518
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
CID 113020292
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020065
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
N-(4-bromo-2-fluorophenyl)butane-1-sulfonamide
CID 6468897
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide (CID 113021517) is N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc(Br)cc2C)nc1.
What is the InChIKey of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is SCEFQKMRCACOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S/c1-3-4-9-23(21,22)20-14-6-8-16(18-11-14)19-15-7-5-13(17)10-12(15)2/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide?
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 398.33 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113021517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).