2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C16H24ClNO4S — CID 40793368

IUPAC2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H24ClNO4S/c1-3-4-7-22-15-9-12(2)14(17)10-16(15)23(19,20)18-11-13-6-5-8-21-13/h9-10,13,18H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyFVWMVNXZUFRDCC-CYBMUJFWSA-N
MW361.89 g/mol
LogP3.28
Rot. Bonds8

About 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 40793368) has the molecular formula C16H24ClNO4S and a molecular weight of 361.89 g/mol. Its IUPAC name is 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID40793368
Molecular FormulaC16H24ClNO4S
Molecular Weight361.89 g/mol
Exact Mass361.11
IUPAC Name2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C16H24ClNO4S/c1-3-4-7-22-15-9-12(2)14(17)10-16(15)23(19,20)18-11-13-6-5-8-21-13/h9-10,13,18H,3-8,11H2,1-2H3/t13-/m1/s1
InChIKeyFVWMVNXZUFRDCC-CYBMUJFWSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
2,5-dichloro-4-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793346
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
N-(4-butoxyphenyl)-2,4-dichloro-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 42582851
5-chloro-N-cyclopentyl-4-methyl-2-propoxybenzenesulfonamide
CID 7314568
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
methyl 3-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812444
methyl 3-chloro-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 94812443

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 40793368) is 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is FVWMVNXZUFRDCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24ClNO4S/c1-3-4-7-22-15-9-12(2)14(17)10-16(15)23(19,20)18-11-13-6-5-8-21-13/h9-10,13,18H,3-8,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 361.89 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-chloro-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 40793368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).