2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide

C11H16Cl2N2O2S — CID 34132352

IUPAC2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C
InChIInChI=1S/C11H16Cl2N2O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1
InChIKeyUWVDMFNSYQBXJC-QMMMGPOBSA-N
MW311.23 g/mol
LogP2.22
Rot. Bonds5

About 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide

2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide (PubChem CID 34132352) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
PubChem CID34132352
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
SMILESC[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C
InChIInChI=1S/C11H16Cl2N2O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1
InChIKeyUWVDMFNSYQBXJC-QMMMGPOBSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-chloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61127626
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
2,5-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 43956534
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 95982562
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
2,5-dichloro-N-(2,3-dihydroxy-2-methylpropyl)benzenesulfonamide
CID 66170118

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide (CID 34132352) is 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide is C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C.
What is the InChIKey of 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide?
The InChIKey is UWVDMFNSYQBXJC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16Cl2N2O2S/c1-8(15(2)3)7-14-18(16,17)11-6-9(12)4-5-10(11)13/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide?
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide has a molecular weight of 311.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 34132352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).