N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide

C16H22BrNO2S — CID 63687042

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC3CCC2C3)ccc1Br
InChIInChI=1S/C16H22BrNO2S/c1-11-7-15(5-6-16(11)17)21(19,20)18(2)10-14-9-12-3-4-13(14)8-12/h5-7,12-14H,3-4,8-10H2,1-2H3
InChIKeyIDLRNDDIGBNOLR-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.81
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide (PubChem CID 63687042) has the molecular formula C16H22BrNO2S and a molecular weight of 372.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide
PubChem CID63687042
Molecular FormulaC16H22BrNO2S
Molecular Weight372.33 g/mol
Exact Mass371.06
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC3CCC2C3)ccc1Br
InChIInChI=1S/C16H22BrNO2S/c1-11-7-15(5-6-16(11)17)21(19,20)18(2)10-14-9-12-3-4-13(14)8-12/h5-7,12-14H,3-4,8-10H2,1-2H3
InChIKeyIDLRNDDIGBNOLR-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide with MolForge

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Related Compounds

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbenzenesulfonamide
CID 63689580
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthiophene-2-sulfonamide
CID 63682736
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
CID 64601519
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
4-bromo-N,3-dimethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947881
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
CID 63689234
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
4-bromo-N-(1-cyclopropylethyl)-N,3-dimethylbenzenesulfonamide
CID 54920579
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide (CID 63687042) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CC3CCC2C3)ccc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide?
The InChIKey is IDLRNDDIGBNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2S/c1-11-7-15(5-6-16(11)17)21(19,20)18(2)10-14-9-12-3-4-13(14)8-12/h5-7,12-14H,3-4,8-10H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide has a molecular weight of 372.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 63687042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).