N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

C17H18N2O3S2 — CID 156602176

IUPACN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-17(12-6-7-23-11-12)19-10-13-8-14(19)9-16(13)18-24(21,22)15-4-2-1-3-5-15/h1-7,11,13-14,16,18H,8-10H2
InChIKeyYHPPMYNORSGRCK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide

N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (PubChem CID 156602176) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
PubChem CID156602176
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
SMILESO=C(c1ccsc1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S2/c20-17(12-6-7-23-11-12)19-10-13-8-14(19)9-16(13)18-24(21,22)15-4-2-1-3-5-15/h1-7,11,13-14,16,18H,8-10H2
InChIKeyYHPPMYNORSGRCK-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 647357
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
3-(diethylsulfamoyl)-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 5105832
3-fluoro-N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
CID 18574881
N-[(4-sulfamoylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4878462
N-(2-(4-(1-Pyrrolidinylsulfonyl)phenyl)ethyl)-2-thiophenecarboxamide
CID 1039500
3-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 1107139
N-(1-benzylpiperidin-4-yl)thiophene-2-carboxamide
CID 557630
1-(Benzylsulfonyl)-4-(2-thienylcarbonyl)piperazine
CID 1151563
4-fluoro-N-((1-(thiophen-2-ylsulfonyl)pyrrolidin-2-yl)methyl)benzamide
CID 18574880
3-(4-Methyl-piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzamide
CID 653928
N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4803567

Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide (CID 156602176) is N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is O=C(c1ccsc1)N1CC2CC1CC2NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
The InChIKey is YHPPMYNORSGRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c20-17(12-6-7-23-11-12)19-10-13-8-14(19)9-16(13)18-24(21,22)15-4-2-1-3-5-15/h1-7,11,13-14,16,18H,8-10H2.
What are the key properties of N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide?
N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophene-3-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide is sourced from PubChem (CID 156602176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).