N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide

C16H10BrCl2NO2S — CID 3865919

IUPACN-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2S/c17-13-6-8-16(12-4-2-1-3-11(12)13)20-23(21,22)10-5-7-14(18)15(19)9-10/h1-9,20H
InChIKeyBVAOROXEBMAXJV-UHFFFAOYSA-N
MW431.14 g/mol
LogP5.71
Rot. Bonds3

About N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide

N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide (PubChem CID 3865919) has the molecular formula C16H10BrCl2NO2S and a molecular weight of 431.14 g/mol. Its IUPAC name is N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
PubChem CID3865919
Molecular FormulaC16H10BrCl2NO2S
Molecular Weight431.14 g/mol
Exact Mass428.90
IUPAC NameN-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10BrCl2NO2S/c17-13-6-8-16(12-4-2-1-3-11(12)13)20-23(21,22)10-5-7-14(18)15(19)9-10/h1-9,20H
InChIKeyBVAOROXEBMAXJV-UHFFFAOYSA-N
XLogP5.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.14
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
N-(4-bromonaphthalen-1-yl)naphthalene-1-sulfonamide
CID 3666979
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 106606417
N-(2-amino-4,6-dibromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43550658

Frequently Asked Questions

What is the IUPAC name of N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide (CID 3865919) is N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide is O=S(=O)(Nc1ccc(Br)c2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is BVAOROXEBMAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl2NO2S/c17-13-6-8-16(12-4-2-1-3-11(12)13)20-23(21,22)10-5-7-14(18)15(19)9-10/h1-9,20H.
What are the key properties of N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide?
N-(4-bromonaphthalen-1-yl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 431.14 g/mol, XLogP of 5.71, 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)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 3865919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).