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

C19H26N2O3S — CID 112984727

IUPACN-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-5-21(6-2)17-9-7-16(8-10-17)20-25(22,23)19-13-11-18(12-14-19)24-15(3)4/h7-15,20H,5-6H2,1-4H3
InChIKeyMSYCSENZIYRCCL-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.12
Rot. Bonds8

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

N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 112984727) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID112984727
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-5-21(6-2)17-9-7-16(8-10-17)20-25(22,23)19-13-11-18(12-14-19)24-15(3)4/h7-15,20H,5-6H2,1-4H3
InChIKeyMSYCSENZIYRCCL-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
N-[4-(3-methylbutylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112985174
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112990448
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide (CID 112984727) is N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is MSYCSENZIYRCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-5-21(6-2)17-9-7-16(8-10-17)20-25(22,23)19-13-11-18(12-14-19)24-15(3)4/h7-15,20H,5-6H2,1-4H3.
What are the key properties of N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide?
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 112984727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).