N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide

C14H19NO3S — CID 14391833

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
SMILESO=S(=O)(NC1C2CCC(C2)C1CO)c1ccccc1
InChIInChI=1S/C14H19NO3S/c16-9-13-10-6-7-11(8-10)14(13)15-19(17,18)12-4-2-1-3-5-12/h1-5,10-11,13-16H,6-9H2
InChIKeyXDTFQZXBTJXYGX-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.37
Rot. Bonds4

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide (PubChem CID 14391833) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
PubChem CID14391833
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide
SMILESO=S(=O)(NC1C2CCC(C2)C1CO)c1ccccc1
InChIInChI=1S/C14H19NO3S/c16-9-13-10-6-7-11(8-10)14(13)15-19(17,18)12-4-2-1-3-5-12/h1-5,10-11,13-16H,6-9H2
InChIKeyXDTFQZXBTJXYGX-UHFFFAOYSA-N
XLogP1.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(4-carboxybut-2-enyl)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]benzoic acid
CID 54196660
1-(2-chlorophenyl)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 111977023
ethyl-[6-[(1S,4R)-3-[(4-phenylphenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hexyl]phosphinic acid
CID 11420712
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethylthiophene-2-sulfonamide
CID 98264603
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]benzenesulfonamide
CID 43602911
(Z)-7-[(1S,2R,3R,4R)-3-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10928987
4-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 104600135
(Z)-7-[(1S,2R,3R,4R)-3-[(2-phenyl-1H-indol-6-yl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
CID 10767455
methyl (Z)-7-[(1S,2R,3R,4R)-3-[[4-[2-(2-nitrophenyl)ethynyl]phenyl]sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoate
CID 11060544
(Z)-6-[(1R,2R,3S,4S)-3-[(3-bromophenyl)sulfonylamino]-2-bicyclo[2.2.1]heptanyl]hex-5-enoic acid
CID 139764636
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide (CID 14391833) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide is O=S(=O)(NC1C2CCC(C2)C1CO)c1ccccc1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
The InChIKey is XDTFQZXBTJXYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-9-13-10-6-7-11(8-10)14(13)15-19(17,18)12-4-2-1-3-5-12/h1-5,10-11,13-16H,6-9H2.
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]benzenesulfonamide is sourced from PubChem (CID 14391833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).