2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide

C19H23ClN2O3S — CID 43063617

IUPAC2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-13(2)14-6-9-16(10-7-14)26(24,25)21-18-12-15(20)8-11-17(18)19(23)22(3)4/h6-13,21H,5H2,1-4H3
InChIKeyCBLLKYMPJLKUMN-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.36
Rot. Bonds6

About 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide

2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 43063617) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
PubChem CID43063617
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
SMILESCCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-5-13(2)14-6-9-16(10-7-14)26(24,25)21-18-12-15(20)8-11-17(18)19(23)22(3)4/h6-13,21H,5H2,1-4H3
InChIKeyCBLLKYMPJLKUMN-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
CID 43697977
4-[(2,5-dichlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676923
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
4-[(2S)-butan-2-yl]-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 8523559
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide (CID 43063617) is 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide is CCC(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)cc1.
What is the InChIKey of 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is CBLLKYMPJLKUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-13(2)14-6-9-16(10-7-14)26(24,25)21-18-12-15(20)8-11-17(18)19(23)22(3)4/h6-13,21H,5H2,1-4H3.
What are the key properties of 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide?
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 394.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 43063617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).