2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide

C17H19ClN2O3S — CID 58107394

IUPAC2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)14-8-5-12(6-9-14)17(21)13-7-10-15(18)16(11-13)24(19,22)23/h5-11H,3-4H2,1-2H3,(H2,19,22,23)
InChIKeyDMCJIMUUZVGZEK-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.06
Rot. Bonds6

About 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide

2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide (PubChem CID 58107394) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
PubChem CID58107394
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-3-20(4-2)14-8-5-12(6-9-14)17(21)13-7-10-15(18)16(11-13)24(19,22)23/h5-11H,3-4H2,1-2H3,(H2,19,22,23)
InChIKeyDMCJIMUUZVGZEK-UHFFFAOYSA-N
XLogP3.06
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

lithium;4-bromo-N,N-diethylaniline;2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide;4-chloro-N-methoxy-N-methyl-3-sulfamoylbenzamide;2-methylpropane;oxolane
CID 158872015
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
2-chloro-5-[4-(3,3-dimethylbutanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane;2-methylpropan-2-amine
CID 158135205
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
4-chloro-N-(3-ethylpentan-3-yl)-3-sulfamoylbenzamide
CID 65380198
2-chloro-5-(1-methylindole-5-carbonyl)benzenesulfonamide
CID 58107434
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-chloro-5-(dimethylaminocarbamoyl)benzenesulfonamide;hydrochloride
CID 174942395
2-chloro-5-[4-(3-phenylpropanoyl)benzoyl]benzenesulfonamide;4-(4-chloro-3-sulfamoylbenzoyl)benzoic acid;methane
CID 162149031
2-ethylbutyl 4-chloro-3-sulfamoylbenzoate
CID 114208715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide (CID 58107394) is 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide is CCN(CC)c1ccc(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide?
The InChIKey is DMCJIMUUZVGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-3-20(4-2)14-8-5-12(6-9-14)17(21)13-7-10-15(18)16(11-13)24(19,22)23/h5-11H,3-4H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide?
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide has a molecular weight of 366.87 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide is sourced from PubChem (CID 58107394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).