3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C21H26ClN3O3S — CID 119745081

IUPAC3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3S.ClH/c22-20-15-11-10-14(12-15)19(20)21(25)23-13-16-6-4-5-9-18(16)24-28(26,27)17-7-2-1-3-8-17;/h1-9,14-15,19-20,24H,10-13,22H2,(H,23,25);1H
InChIKeyRLCPPEPVHISBIN-UHFFFAOYSA-N
MW435.98 g/mol
LogP2.90
Rot. Bonds6

About 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119745081) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119745081
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H25N3O3S.ClH/c22-20-15-11-10-14(12-15)19(20)21(25)23-13-16-6-4-5-9-18(16)24-28(26,27)17-7-2-1-3-8-17;/h1-9,14-15,19-20,24H,10-13,22H2,(H,23,25);1H
InChIKeyRLCPPEPVHISBIN-UHFFFAOYSA-N
XLogP2.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[2-(methylsulfonylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119808554
N-[[2-(benzenesulfonamido)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119745101
3-amino-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700360
N-[[2-(benzenesulfonamido)phenyl]methyl]piperidine-3-carboxamide
CID 119301276
3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119821858
3-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119846731
3-amino-N-(quinolin-8-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119868757
3-amino-N-[(1-phenylcyclopentyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119698155
3-amino-N-(3-benzylsulfonylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727947
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(2,4-dimethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119715901
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119745081) is 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is RLCPPEPVHISBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.ClH/c22-20-15-11-10-14(12-15)19(20)21(25)23-13-16-6-4-5-9-18(16)24-28(26,27)17-7-2-1-3-8-17;/h1-9,14-15,19-20,24H,10-13,22H2,(H,23,25);1H.
What are the key properties of 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 435.98 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(benzenesulfonamido)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119745081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).