2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

C21H29ClN2O3S — CID 78862754

IUPAC2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C21H29ClN2O3S/c1-12(2)24(3)28(26,27)14-7-8-19(22)18(11-14)21(25)23-20-10-13-9-17(20)16-6-4-5-15(13)16/h7-8,11-13,15-17,20H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOSJGSDHBKCLPAZ-UHFFFAOYSA-N
MW424.99 g/mol
LogP3.92
Rot. Bonds5

About 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 78862754) has the molecular formula C21H29ClN2O3S and a molecular weight of 424.99 g/mol. Its IUPAC name is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID78862754
Molecular FormulaC21H29ClN2O3S
Molecular Weight424.99 g/mol
Exact Mass424.16
IUPAC Name2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC3CC2C2CCCC32)c1
InChIInChI=1S/C21H29ClN2O3S/c1-12(2)24(3)28(26,27)14-7-8-19(22)18(11-14)21(25)23-20-10-13-9-17(20)16-6-4-5-15(13)16/h7-8,11-13,15-17,20H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyOSJGSDHBKCLPAZ-UHFFFAOYSA-N
XLogP3.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.99
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
methyl 1-[[2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]cyclopentane-1-carboxylate
CID 55571977
2-chloro-N-(3-hydroxypropyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78854298
3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
CID 124785469
3-(azocane-1-carbonyl)-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 51145580
3,6-dichloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridine-2-carboxamide
CID 42958244
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
4-chloro-N-methyl-3-(2-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 55331996
2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 107982436
2-chloro-N-(3,5-dimethoxyphenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55345679
3-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 97083994
2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 78862754) is 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CC3CC2C2CCCC32)c1.
What is the InChIKey of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is OSJGSDHBKCLPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O3S/c1-12(2)24(3)28(26,27)14-7-8-19(22)18(11-14)21(25)23-20-10-13-9-17(20)16-6-4-5-15(13)16/h7-8,11-13,15-17,20H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 424.99 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 78862754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).