2-butoxy-5-chlorobenzenesulfonamide

C10H14ClNO3S — CID 62103523

IUPAC2-butoxy-5-chlorobenzenesulfonamide
SMILESCCCCOc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyQOIVNUUUWMNZQW-UHFFFAOYSA-N
MW263.75 g/mol
LogP2.17
Rot. Bonds5

About 2-butoxy-5-chlorobenzenesulfonamide

2-butoxy-5-chlorobenzenesulfonamide (PubChem CID 62103523) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-butoxy-5-chlorobenzenesulfonamide.

Molecular Properties

Compound Name2-butoxy-5-chlorobenzenesulfonamide
PubChem CID62103523
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name2-butoxy-5-chlorobenzenesulfonamide
SMILESCCCCOc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H14ClNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)
InChIKeyQOIVNUUUWMNZQW-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
2-hexoxy-5-methylbenzenesulfonamide
CID 43164499
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
2-amino-5-butoxybenzene-1,4-disulfonamide
CID 154394583
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-chlorobenzenesulfonamide?
The IUPAC name of 2-butoxy-5-chlorobenzenesulfonamide (CID 62103523) is 2-butoxy-5-chlorobenzenesulfonamide.
What is the SMILES notation for 2-butoxy-5-chlorobenzenesulfonamide?
The canonical SMILES for 2-butoxy-5-chlorobenzenesulfonamide is CCCCOc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-butoxy-5-chlorobenzenesulfonamide?
The InChIKey is QOIVNUUUWMNZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-2-3-6-15-9-5-4-8(11)7-10(9)16(12,13)14/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14).
What are the key properties of 2-butoxy-5-chlorobenzenesulfonamide?
2-butoxy-5-chlorobenzenesulfonamide has a molecular weight of 263.75 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-chlorobenzenesulfonamide is sourced from PubChem (CID 62103523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).