3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide

C10H13Cl2NO4S — CID 39847484

IUPAC3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCCCO)ccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-17-10-8(4-3-7(11)9(10)12)18(15,16)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3
InChIKeySYKHCWXHJHZSTK-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.66
Rot. Bonds6

About 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide

3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide (PubChem CID 39847484) has the molecular formula C10H13Cl2NO4S and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
PubChem CID39847484
Molecular FormulaC10H13Cl2NO4S
Molecular Weight314.19 g/mol
Exact Mass312.99
IUPAC Name3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
SMILESCOc1c(S(=O)(=O)NCCCO)ccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-17-10-8(4-3-7(11)9(10)12)18(15,16)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3
InChIKeySYKHCWXHJHZSTK-UHFFFAOYSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-2-methoxy-N-propylbenzenesulfonamide
CID 6457529
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 103088486
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
3,4-dichloro-N-(2,6-diethylphenyl)-2-methoxybenzenesulfonamide
CID 139014537
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
3,4-dichloro-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 6463677
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide (CID 39847484) is 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide is COc1c(S(=O)(=O)NCCCO)ccc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
The InChIKey is SYKHCWXHJHZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S/c1-17-10-8(4-3-7(11)9(10)12)18(15,16)13-5-2-6-14/h3-4,13-14H,2,5-6H2,1H3.
What are the key properties of 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide?
3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide has a molecular weight of 314.19 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 39847484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).