N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide

C19H26N2O3S — CID 112980319

IUPACN-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-5-14-20-16-6-8-17(9-7-16)21-25(22,23)19-12-10-18(11-13-19)24-15(2)3/h6-13,15,20-21H,4-5,14H2,1-3H3
InChIKeyPRBXHRQCSOCSBS-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.49
Rot. Bonds9

About N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide

N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112980319) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID112980319
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-4-5-14-20-16-6-8-17(9-7-16)21-25(22,23)19-12-10-18(11-13-19)24-15(2)3/h6-13,15,20-21H,4-5,14H2,1-3H3
InChIKeyPRBXHRQCSOCSBS-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.49
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

N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
4-ethoxy-N-[4-(3-methoxypropylamino)phenyl]benzenesulfonamide
CID 112981139
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
CID 112980291
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 112980319) is N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is PRBXHRQCSOCSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-4-5-14-20-16-6-8-17(9-7-16)21-25(22,23)19-12-10-18(11-13-19)24-15(2)3/h6-13,15,20-21H,4-5,14H2,1-3H3.
What are the key properties of N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112980319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).