3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide

C10H14Cl2N2O2S — CID 104726640

IUPAC3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CCCN)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7-5-9(12)10(6-8(7)11)14-17(15,16)4-2-3-13/h5-6,14H,2-4,13H2,1H3
InChIKeyASVIHHPSAUHHAX-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.39
Rot. Bonds5

About 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide

3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide (PubChem CID 104726640) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
PubChem CID104726640
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide
SMILESCc1cc(Cl)c(NS(=O)(=O)CCCN)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-7-5-9(12)10(6-8(7)11)14-17(15,16)4-2-3-13/h5-6,14H,2-4,13H2,1H3
InChIKeyASVIHHPSAUHHAX-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)butane-1-sulfonamide
CID 106056915
1-bromo-N-(2,5-dichloro-4-methylphenyl)methanesulfonamide
CID 104727985
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
N-(2-bromo-5-chloro-4-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816507
3-amino-N-(4-bromo-2-methylphenyl)propane-1-sulfonamide
CID 60910330
3-chloro-N-(2,5-dichloro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 113445957
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
N-(2-bromo-5-chloro-4-methylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078934
3-amino-N-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 60910481
3-amino-N-(3,4-dimethylphenyl)propane-1-sulfonamide
CID 60909550
4-(ethylamino)-N-(2,4,5-trichlorophenyl)butane-1-sulfonamide
CID 106057705
N-(2-bromo-5-chloro-4-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106078956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide (CID 104726640) is 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide is Cc1cc(Cl)c(NS(=O)(=O)CCCN)cc1Cl.
What is the InChIKey of 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide?
The InChIKey is ASVIHHPSAUHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-7-5-9(12)10(6-8(7)11)14-17(15,16)4-2-3-13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide?
3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dichloro-4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 104726640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).