N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide

C15H16Cl2N2O2S — CID 112989699

IUPACN-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-2-10-22(20,21)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-9,18-19H,2,10H2,1H3
InChIKeyKWQKXFBHDYEZDB-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.89
Rot. Bonds6

About N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide

N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide (PubChem CID 112989699) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
PubChem CID112989699
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC NameN-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-2-10-22(20,21)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-9,18-19H,2,10H2,1H3
InChIKeyKWQKXFBHDYEZDB-UHFFFAOYSA-N
XLogP4.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
CID 112986049
N-[4-(2-propan-2-yloxyanilino)phenyl]propane-1-sulfonamide
CID 112987807
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
4-N-(2,3-dichlorophenyl)benzene-1,4-diamine
CID 4764118
N-[4-(3-chloroanilino)phenyl]butane-1-sulfonamide
CID 112986998
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N-(2,3-dichlorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106030648
2,3-dichloro-N-(4-phenylphenyl)aniline
CID 162720595

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide (CID 112989699) is N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide?
The InChIKey is KWQKXFBHDYEZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-2-10-22(20,21)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-9,18-19H,2,10H2,1H3.
What are the key properties of N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide?
N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide has a molecular weight of 359.28 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dichloroanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112989699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).