N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide

C16H22N2O3S — CID 125073112

IUPACN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C16H22N2O3S/c1-18(2)22(20,21)14-5-3-4-13(10-14)16(19)17-15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,6-9H2,1-2H3,(H,17,19)/t11-,12-,15+/m0/s1
InChIKeyHGXDLNAFZZDNRP-SLEUVZQESA-N
MW322.43 g/mol
LogP1.86
Rot. Bonds4

About N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 125073112) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID125073112
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C16H22N2O3S/c1-18(2)22(20,21)14-5-3-4-13(10-14)16(19)17-15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,6-9H2,1-2H3,(H,17,19)/t11-,12-,15+/m0/s1
InChIKeyHGXDLNAFZZDNRP-SLEUVZQESA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(methylsulfamoyl)benzamide
CID 100619770
N-(2-bicyclo[2.2.1]heptanyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50944716
3-[[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 11944467
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-3-(dimethylsulfamoyl)benzamide
CID 139010390
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide (CID 125073112) is N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1.
What is the InChIKey of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is HGXDLNAFZZDNRP-SLEUVZQESA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-18(2)22(20,21)14-5-3-4-13(10-14)16(19)17-15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,6-9H2,1-2H3,(H,17,19)/t11-,12-,15+/m0/s1.
What are the key properties of N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide?
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 322.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 125073112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).