N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide

C22H18N2O4S2 — CID 3389796

IUPACN-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C22H18N2O4S2/c25-29(26,17-9-3-1-4-10-17)23-21-15-7-14-20-19(21)13-8-16-22(20)24-30(27,28)18-11-5-2-6-12-18/h1-16,23-24H
InChIKeyONOSVFYBDQPLRQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.44
Rot. Bonds6

About N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide

N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide (PubChem CID 3389796) has the molecular formula C22H18N2O4S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
PubChem CID3389796
Molecular FormulaC22H18N2O4S2
Molecular Weight438.53 g/mol
Exact Mass438.07
IUPAC NameN-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccccc3)cccc12)c1ccccc1
InChIInChI=1S/C22H18N2O4S2/c25-29(26,17-9-3-1-4-10-17)23-21-15-7-14-20-19(21)13-8-16-22(20)24-30(27,28)18-11-5-2-6-12-18/h1-16,23-24H
InChIKeyONOSVFYBDQPLRQ-UHFFFAOYSA-N
XLogP4.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-[4-(benzenesulfonamido)-3-methylnaphthalen-1-yl]benzenesulfonamide
CID 518129
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
3-N-naphthalen-1-ylbenzene-1,3-disulfonamide
CID 30285558
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[5-(benzenesulfonamido)-7,7-diphenyl-2-bicyclo[4.1.0]hepta-1,3,5-trienyl]benzenesulfonamide
CID 134865952
N-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-(2,3-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 3576205
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide (CID 3389796) is N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide is O=S(=O)(Nc1cccc2c(NS(=O)(=O)c3ccccc3)cccc12)c1ccccc1.
What is the InChIKey of N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide?
The InChIKey is ONOSVFYBDQPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S2/c25-29(26,17-9-3-1-4-10-17)23-21-15-7-14-20-19(21)13-8-16-22(20)24-30(27,28)18-11-5-2-6-12-18/h1-16,23-24H.
What are the key properties of N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide?
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 3389796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).