N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide

C14H17BrClNO2S — CID 63686492

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO2S/c15-12-3-4-14(13(16)7-12)20(18,19)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyMXIQEKHHGRIYFU-UHFFFAOYSA-N
MW378.72 g/mol
LogP3.82
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 63686492) has the molecular formula C14H17BrClNO2S and a molecular weight of 378.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID63686492
Molecular FormulaC14H17BrClNO2S
Molecular Weight378.72 g/mol
Exact Mass376.99
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCC1CC2CCC1C2)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H17BrClNO2S/c15-12-3-4-14(13(16)7-12)20(18,19)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2
InChIKeyMXIQEKHHGRIYFU-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chloroaniline
CID 79554670
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2,6-dichloroaniline
CID 79554344
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-hydrazinylpyridine-3-sulfonamide
CID 63683555
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-bromo-2-chloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974161
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-5-chloro-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 42590576
4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
4-bromo-2-chloro-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253324
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-bromothiophene-2-carboxylic acid
CID 63683280
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-fluoroaniline
CID 79554177

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide (CID 63686492) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide is O=S(=O)(NCC1CC2CCC1C2)c1ccc(Br)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is MXIQEKHHGRIYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2S/c15-12-3-4-14(13(16)7-12)20(18,19)17-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11,17H,1-2,5-6,8H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 378.72 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 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-2-chlorobenzenesulfonamide is sourced from PubChem (CID 63686492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).