N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide

C15H13Cl2NO4S — CID 138998155

IUPACN-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-5-11(6-4-10)18-23(20,21)15-8-12(16)14(22-2)7-13(15)17/h3-8,18H,1-2H3
InChIKeyCNNLIIKRURNZMB-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.01
Rot. Bonds5

About N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide

N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide (PubChem CID 138998155) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
PubChem CID138998155
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC NameN-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-5-11(6-4-10)18-23(20,21)15-8-12(16)14(22-2)7-13(15)17/h3-8,18H,1-2H3
InChIKeyCNNLIIKRURNZMB-UHFFFAOYSA-N
XLogP4.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
1-(4-acetylphenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 17270458
4-[(2,4,5-trichlorophenyl)sulfonylamino]benzoate
CID 7477012
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
CID 39845027
2,5-dichloro-N-(1H-indazol-6-yl)-4-methoxybenzenesulfonamide
CID 2242342
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1258973
2,4,5-trichloro-N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134404543
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
CID 2742129
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide (CID 138998155) is N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1Cl.
What is the InChIKey of N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide?
The InChIKey is CNNLIIKRURNZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-9(19)10-3-5-11(6-4-10)18-23(20,21)15-8-12(16)14(22-2)7-13(15)17/h3-8,18H,1-2H3.
What are the key properties of N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide?
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide has a molecular weight of 374.25 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 138998155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).