2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide

C10H14Cl2N2O3S — CID 43256759

IUPAC2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyCWHATALXDFNFQR-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.89
Rot. Bonds6

About 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 43256759) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID43256759
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3
InChIKeyCWHATALXDFNFQR-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4,6-dichlorobenzene-1-sulfonamide
CID 3021430
4-amino-6-chloro-3-N-prop-2-enylbenzene-1,3-disulfonamide
CID 83526164
2-amino-4,6-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255956
2-amino-4,6-dichloro-N-(4-fluorophenyl)benzenesulfonamide
CID 43256004
2-amino-4,6-dichloro-N-(2-fluorophenyl)benzenesulfonamide
CID 43256034
2-amino-4,6-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 43256076
2-amino-4,6-dichloro-N-(3,5-difluorophenyl)benzenesulfonamide
CID 43256148
2-amino-4,6-dichloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 43256202
2-amino-4,6-dichloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43256408
2-amino-4,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43256483
2-amino-4,6-dichloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 43256648
2-amino-4,6-dichloro-N-(3-chloro-2-fluorophenyl)benzenesulfonamide
CID 43256672

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide (CID 43256759) is 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide is COCCCNS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is CWHATALXDFNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-17-4-2-3-14-18(15,16)10-8(12)5-7(11)6-9(10)13/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 313.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 43256759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).