N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide

C20H14BrNO2S — CID 3666979

IUPACN-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C20H14BrNO2S/c21-18-12-13-19(17-10-4-3-9-16(17)18)22-25(23,24)20-11-5-7-14-6-1-2-8-15(14)20/h1-13,22H
InChIKeyNZPNLQXNLCHRQM-UHFFFAOYSA-N
MW412.31 g/mol
LogP5.56
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide

N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide (PubChem CID 3666979) has the molecular formula C20H14BrNO2S and a molecular weight of 412.31 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
PubChem CID3666979
Molecular FormulaC20H14BrNO2S
Molecular Weight412.31 g/mol
Exact Mass410.99
IUPAC NameN-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C20H14BrNO2S/c21-18-12-13-19(17-10-4-3-9-16(17)18)22-25(23,24)20-11-5-7-14-6-1-2-8-15(14)20/h1-13,22H
InChIKeyNZPNLQXNLCHRQM-UHFFFAOYSA-N
XLogP5.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4,5-dibromo-2-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
CID 139947697
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
N-phenylnaphthalene-1-sulfonamide
CID 3816137
N-(6-chloro-2-iodo-3-pyridinyl)naphthalene-1-sulfonamide
CID 87538260
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(6-bromoquinolin-8-yl)naphthalene-1-sulfonamide
CID 16759550
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
CID 3865919
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376
N-(4-anilinophenyl)naphthalene-1-sulfonamide
CID 86182181
N-(4-bromonaphthalen-1-yl)-1H-imidazole-5-sulfonamide
CID 115897637

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide (CID 3666979) is N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(Br)c2ccccc12)c1cccc2ccccc12.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide?
The InChIKey is NZPNLQXNLCHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO2S/c21-18-12-13-19(17-10-4-3-9-16(17)18)22-25(23,24)20-11-5-7-14-6-1-2-8-15(14)20/h1-13,22H.
What are the key properties of N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide?
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide has a molecular weight of 412.31 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 3666979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).