4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide

C15H17BrN2O2S — CID 39845617

IUPAC4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)c(C(C)C)cc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-10(2)13-8-14(16)11(3)7-15(13)21(19,20)18-12-5-4-6-17-9-12/h4-10,18H,1-3H3
InChIKeySVIBHNPXLRBGMO-UHFFFAOYSA-N
MW369.28 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide

4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 39845617) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID39845617
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccnc2)c(C(C)C)cc1Br
InChIInChI=1S/C15H17BrN2O2S/c1-10(2)13-8-14(16)11(3)7-15(13)21(19,20)18-12-5-4-6-17-9-12/h4-10,18H,1-3H3
InChIKeySVIBHNPXLRBGMO-UHFFFAOYSA-N
XLogP4.08
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
CID 146127486
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-bromo-4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 71991673
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
3-propan-2-yl-4-propoxy-N-pyridin-3-ylbenzenesulfonamide
CID 16645112
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide (CID 39845617) is 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccnc2)c(C(C)C)cc1Br.
What is the InChIKey of 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is SVIBHNPXLRBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10(2)13-8-14(16)11(3)7-15(13)21(19,20)18-12-5-4-6-17-9-12/h4-10,18H,1-3H3.
What are the key properties of 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide?
4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 39845617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).