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

C18H20N2O3S — CID 95146458

IUPAC4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3S/c19-24(22,23)12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,20,21)(H2,19,22,23)/t17-/m1/s1
InChIKeyJWLTZLMDLGTDMT-QGZVFWFLSA-N
MW344.44 g/mol
LogP2.28
Rot. Bonds4

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

4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 95146458) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID95146458
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O3S/c19-24(22,23)12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,20,21)(H2,19,22,23)/t17-/m1/s1
InChIKeyJWLTZLMDLGTDMT-QGZVFWFLSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-(piperidin-1-ylsulfonylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 99132083
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4091350
4-(phenylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42992525
4-propan-2-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51955051
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46642561
4-(diethylsulfamoyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450747
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930

Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 95146458) is 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is NS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is JWLTZLMDLGTDMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O3S/c19-24(22,23)12-13-8-10-15(11-9-13)18(21)20-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11,17H,3,5,7,12H2,(H,20,21)(H2,19,22,23)/t17-/m1/s1.
What are the key properties of 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 95146458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).