5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide

C17H18Cl2N2O3S — CID 2856958

IUPAC5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-17(2,3)10-4-6-11(7-5-10)25(23,24)21-15-8-12(16(20)22)13(18)9-14(15)19/h4-9,21H,1-3H3,(H2,20,22)
InChIKeyMNEBERPLCQDUHY-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.19
Rot. Bonds4

About 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide

5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide (PubChem CID 2856958) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
PubChem CID2856958
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-17(2,3)10-4-6-11(7-5-10)25(23,24)21-15-8-12(16(20)22)13(18)9-14(15)19/h4-9,21H,1-3H3,(H2,20,22)
InChIKeyMNEBERPLCQDUHY-UHFFFAOYSA-N
XLogP4.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorobenzoyl chloride
CID 86618346
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
4-tert-butyl-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 3644153
4-tert-butyl-N-[4-chloro-2-(3-methylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10094915
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
N-[2-[1-[1-aminoethenyl(propan-2-yl)amino]ethenyl]-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 89300585
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
2-[(4-methoxyphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
CID 175931825
N-(2-benzoylphenyl)-4-tert-butylbenzenesulfonamide
CID 10883729
5-[[4-[(4-acetylphenyl)sulfonylamino]benzoyl]amino]-2-chlorobenzamide
CID 36525734
2-[(4-tert-butylphenyl)sulfonylamino]benzenesulfonamide
CID 11508929

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide?
The IUPAC name of 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide (CID 2856958) is 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide?
The canonical SMILES for 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide?
The InChIKey is MNEBERPLCQDUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-17(2,3)10-4-6-11(7-5-10)25(23,24)21-15-8-12(16(20)22)13(18)9-14(15)19/h4-9,21H,1-3H3,(H2,20,22).
What are the key properties of 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide?
5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide has a molecular weight of 401.32 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)sulfonylamino]-2,4-dichlorobenzamide is sourced from PubChem (CID 2856958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).