4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

C18H18ClNO2S — CID 173275861

IUPAC4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESC=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H18ClNO2S/c1-2-13-3-4-14-5-8-17(12-15(14)11-13)20-23(21,22)18-9-6-16(19)7-10-18/h2-4,6-7,9-11,17,20H,1,5,8,12H2
InChIKeyZLRWSGIHHOMXPT-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide

4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (PubChem CID 173275861) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
PubChem CID173275861
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESC=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H18ClNO2S/c1-2-13-3-4-14-5-8-17(12-15(14)11-13)20-23(21,22)18-9-6-16(19)7-10-18/h2-4,6-7,9-11,17,20H,1,5,8,12H2
InChIKeyZLRWSGIHHOMXPT-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 69077821
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
sodium 4-[[2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetyl]amino]butanoate
CID 67937538
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111795
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 79723808
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
3-[6-[(4-chlorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
CID 10254784
3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
CID 18614869
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
7-[(3-chlorophenyl)sulfonylamino]-3-fluoro-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56933017

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide (CID 173275861) is 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is C=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The InChIKey is ZLRWSGIHHOMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-2-13-3-4-14-5-8-17(12-15(14)11-13)20-23(21,22)18-9-6-16(19)7-10-18/h2-4,6-7,9-11,17,20H,1,5,8,12H2.
What are the key properties of 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide?
4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide has a molecular weight of 347.87 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 173275861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).