N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

C18H22ClN3O3S2 — CID 119457637

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H21N3O3S2.ClH/c22-18(20-16-10-13-6-7-14(11-16)19-13)12-3-1-4-15(9-12)21-26(23,24)17-5-2-8-25-17;/h1-5,8-9,13-14,16,19,21H,6-7,10-11H2,(H,20,22);1H
InChIKeySQNVAUZZWQSEQS-UHFFFAOYSA-N
MW427.98 g/mol
LogP2.98
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (PubChem CID 119457637) has the molecular formula C18H22ClN3O3S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
PubChem CID119457637
Molecular FormulaC18H22ClN3O3S2
Molecular Weight427.98 g/mol
Exact Mass427.08
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H21N3O3S2.ClH/c22-18(20-16-10-13-6-7-14(11-16)19-13)12-3-1-4-15(9-12)21-26(23,24)17-5-2-8-25-17;/h1-5,8-9,13-14,16,19,21H,6-7,10-11H2,(H,20,22);1H
InChIKeySQNVAUZZWQSEQS-UHFFFAOYSA-N
XLogP2.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119611057
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119603184
N-pentyl-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786585
N-[3-(methylamino)propyl]-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride
CID 119432119
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119458558
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 119574325
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-iodothiophene-3-carboxamide;hydrochloride
CID 119456063
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride (CID 119457637) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
The InChIKey is SQNVAUZZWQSEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2.ClH/c22-18(20-16-10-13-6-7-14(11-16)19-13)12-3-1-4-15(9-12)21-26(23,24)17-5-2-8-25-17;/h1-5,8-9,13-14,16,19,21H,6-7,10-11H2,(H,20,22);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(thiophen-2-ylsulfonylamino)benzamide;hydrochloride is sourced from PubChem (CID 119457637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).