4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide

C21H24N2O3S — CID 23229827

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-23(27(25,26)19-5-3-2-4-6-19)18-11-9-16(10-12-18)21(24)22-20-14-15-7-8-17(20)13-15/h2-6,9-12,15,17,20H,7-8,13-14H2,1H3,(H,22,24)/t15-,17-,20-/m0/s1
InChIKeyRNCKYSFCIBTSQO-KNBMTAEXSA-N
MW384.50 g/mol
LogP3.43
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 23229827) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID23229827
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-23(27(25,26)19-5-3-2-4-6-19)18-11-9-16(10-12-18)21(24)22-20-14-15-7-8-17(20)13-15/h2-6,9-12,15,17,20H,7-8,13-14H2,1H3,(H,22,24)/t15-,17-,20-/m0/s1
InChIKeyRNCKYSFCIBTSQO-KNBMTAEXSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-(2-bicyclo[2.2.1]heptanyl)benzamide
CID 132660905
5-[benzenesulfonyl(methyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
CID 133179222
5-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-chlorobenzamide
CID 125043024
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(2R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 133145390
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-[benzyl(methylsulfonyl)amino]-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23911808
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylsulfamoyl)benzamide
CID 133231330
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-(dimethylsulfamoyl)benzamide
CID 125073112
N-(2-bicyclo[2.2.1]heptanyl)-4-[ethyl(ethylsulfonyl)amino]benzamide
CID 53289335
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 7326108

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 23229827) is 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is CN(c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is RNCKYSFCIBTSQO-KNBMTAEXSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-23(27(25,26)19-5-3-2-4-6-19)18-11-9-16(10-12-18)21(24)22-20-14-15-7-8-17(20)13-15/h2-6,9-12,15,17,20H,7-8,13-14H2,1H3,(H,22,24)/t15-,17-,20-/m0/s1.
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 23229827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).