1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide

C19H22N2O4S2 — CID 35507830

IUPAC1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-15-8-9-15)16-10-12-17(13-11-16)27(24,25)21-19-7-3-5-14-4-1-2-6-18(14)19/h3,5,7,10-13,15,20-21H,1-2,4,6,8-9H2
InChIKeyYXLLISLDBVTIJF-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.81
Rot. Bonds6

About 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide

1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide (PubChem CID 35507830) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
PubChem CID35507830
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
SMILESO=S(=O)(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-26(23,20-15-8-9-15)16-10-12-17(13-11-16)27(24,25)21-19-7-3-5-14-4-1-2-6-18(14)19/h3,5,7,10-13,15,20-21H,1-2,4,6,8-9H2
InChIKeyYXLLISLDBVTIJF-UHFFFAOYSA-N
XLogP2.81
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
N-[2-(5,6,7,8-tetrahydronaphthalene-1-carbonyl)phenyl]benzenesulfonamide
CID 58883559
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909788
N-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 91150156
4-(3-methyl-1,2-oxazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20917438
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
5-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-3-sulfonamide
CID 107522514
5-chloro-1-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole-4-sulfonamide
CID 43415193
N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-sulfonamide
CID 24710203

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide?
The IUPAC name of 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide (CID 35507830) is 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide is O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide?
The InChIKey is YXLLISLDBVTIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-26(23,20-15-8-9-15)16-10-12-17(13-11-16)27(24,25)21-19-7-3-5-14-4-1-2-6-18(14)19/h3,5,7,10-13,15,20-21H,1-2,4,6,8-9H2.
What are the key properties of 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide?
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide has a molecular weight of 406.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide is sourced from PubChem (CID 35507830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).