N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide

C25H21BrN2O3S — CID 135018198

IUPACN-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2c(Br)ccc3ccccc23)cc1
InChIInChI=1S/C25H21BrN2O3S/c1-17-11-14-19(15-12-17)32(30,31)27-23-10-6-5-9-21(23)25(29)28(2)24-20-8-4-3-7-18(20)13-16-22(24)26/h3-16,27H,1-2H3
InChIKeyWTEJPLLPGNXQFN-UHFFFAOYSA-N
MW509.43 g/mol
LogP5.99
Rot. Bonds5

About N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide

N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 135018198) has the molecular formula C25H21BrN2O3S and a molecular weight of 509.43 g/mol. Its IUPAC name is N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID135018198
Molecular FormulaC25H21BrN2O3S
Molecular Weight509.43 g/mol
Exact Mass508.05
IUPAC NameN-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2c(Br)ccc3ccccc23)cc1
InChIInChI=1S/C25H21BrN2O3S/c1-17-11-14-19(15-12-17)32(30,31)27-23-10-6-5-9-21(23)25(29)28(2)24-20-8-4-3-7-18(20)13-16-22(24)26/h3-16,27H,1-2H3
InChIKeyWTEJPLLPGNXQFN-UHFFFAOYSA-N
XLogP5.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.43
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 11749023
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
ethyl 2-[(4-bromo-3-methylphenyl)sulfonylamino]benzoate
CID 2696978
2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 2347642
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(2-acetyl-6-bromophenyl)-4-methylbenzenesulfonamide
CID 169370890
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
2-[(6-methylnaphthalen-2-yl)sulfonylamino]benzoate
CID 7573844
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797

Frequently Asked Questions

What is the IUPAC name of N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 135018198) is N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C)c2c(Br)ccc3ccccc23)cc1.
What is the InChIKey of N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is WTEJPLLPGNXQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O3S/c1-17-11-14-19(15-12-17)32(30,31)27-23-10-6-5-9-21(23)25(29)28(2)24-20-8-4-3-7-18(20)13-16-22(24)26/h3-16,27H,1-2H3.
What are the key properties of N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 509.43 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromonaphthalen-1-yl)-N-methyl-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 135018198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).