2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C18H19ClN2O3S — CID 92678157

IUPAC2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-25(23,24)21-13-9-10-15(16(19)11-13)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-3,5,7,9-11,17,21H,4,6,8H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyWKCFGQJVGYPXQB-QGZVFWFLSA-N
MW378.88 g/mol
LogP3.52
Rot. Bonds4

About 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 92678157) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID92678157
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C18H19ClN2O3S/c1-25(23,24)21-13-9-10-15(16(19)11-13)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-3,5,7,9-11,17,21H,4,6,8H2,1H3,(H,20,22)/t17-/m1/s1
InChIKeyWKCFGQJVGYPXQB-QGZVFWFLSA-N
XLogP3.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[methyl(methylsulfonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133145463
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125042681
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
3-(methanesulfonamido)-2-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 94012657
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
2,4-dichloro-N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]benzamide
CID 46520269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 92678157) is 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is WKCFGQJVGYPXQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-25(23,24)21-13-9-10-15(16(19)11-13)18(22)20-17-8-4-6-12-5-2-3-7-14(12)17/h2-3,5,7,9-11,17,21H,4,6,8H2,1H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 378.88 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methanesulfonamido)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 92678157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).