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

C20H22N2O3S — CID 11899057

IUPAC4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20(21-19-13-14-6-7-16(19)12-14)15-8-10-17(11-9-15)22-26(24,25)18-4-2-1-3-5-18/h1-5,8-11,14,16,19,22H,6-7,12-13H2,(H,21,23)/t14-,16+,19+/m0/s1
InChIKeyOAROCCNGUOCXRI-ZSZQSSIHSA-N
MW370.47 g/mol
LogP3.41
Rot. Bonds5

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

4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 11899057) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID11899057
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3S/c23-20(21-19-13-14-6-7-16(19)12-14)15-8-10-17(11-9-15)22-26(24,25)18-4-2-1-3-5-18/h1-5,8-11,14,16,19,22H,6-7,12-13H2,(H,21,23)/t14-,16+,19+/m0/s1
InChIKeyOAROCCNGUOCXRI-ZSZQSSIHSA-N
XLogP3.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203505
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
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
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
N-(2-bicyclo[2.2.1]heptanyl)-4-chloro-3-(phenylsulfamoyl)benzamide
CID 2973945
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
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]-4-iodobenzamide
CID 2231103
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
N-[(2R)-2-bicyclo[2.2.1]heptanyl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 133203406

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 11899057) is 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is OAROCCNGUOCXRI-ZSZQSSIHSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(21-19-13-14-6-7-16(19)12-14)15-8-10-17(11-9-15)22-26(24,25)18-4-2-1-3-5-18/h1-5,8-11,14,16,19,22H,6-7,12-13H2,(H,21,23)/t14-,16+,19+/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 11899057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).