N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H26N2O3S — CID 102704456

IUPACN-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-6-12(4)17-21(18,19)15-8-7-13(9-14(15)20-5)10-16-11(2)3/h7-9,11-12,16-17H,6,10H2,1-5H3
InChIKeyADTQBHAARCWPFR-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.27
Rot. Bonds8

About N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide

N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 102704456) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID102704456
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-6-12(4)17-21(18,19)15-8-7-13(9-14(15)20-5)10-16-11(2)3/h7-9,11-12,16-17H,6,10H2,1-5H3
InChIKeyADTQBHAARCWPFR-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 102704456) is N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is ADTQBHAARCWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-12(4)17-21(18,19)15-8-7-13(9-14(15)20-5)10-16-11(2)3/h7-9,11-12,16-17H,6,10H2,1-5H3.
What are the key properties of N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methoxy-4-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 102704456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).