2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide

C15H24N2O3S — CID 61113499

IUPAC2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(C)C)C2CC2)c(N)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)8-9-17(12-4-5-12)21(18,19)15-7-6-13(20-3)10-14(15)16/h6-7,10-12H,4-5,8-9,16H2,1-3H3
InChIKeyPCHYJQGCJQTPBJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.48
Rot. Bonds7

About 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide

2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 61113499) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
PubChem CID61113499
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(C)C)C2CC2)c(N)c1
InChIInChI=1S/C15H24N2O3S/c1-11(2)8-9-17(12-4-5-12)21(18,19)15-7-6-13(20-3)10-14(15)16/h6-7,10-12H,4-5,8-9,16H2,1-3H3
InChIKeyPCHYJQGCJQTPBJ-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43265430
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 80628244
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
3-amino-5-chloro-N-cyclopropyl-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113120
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576037
2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116633
N-cyclopropyl-5-(hydroxymethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 79014602
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588
2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide (CID 61113499) is 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCC(C)C)C2CC2)c(N)c1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is PCHYJQGCJQTPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)8-9-17(12-4-5-12)21(18,19)15-7-6-13(20-3)10-14(15)16/h6-7,10-12H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide?
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 61113499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).