N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide

C19H26N2O3S — CID 120664319

IUPACN-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-16(2)24-18-9-11-19(12-10-18)25(22,23)21(14-6-13-20)15-17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15,20H2,1-2H3
InChIKeyBPTGYHRGSNHNRC-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.01
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide

N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 120664319) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID120664319
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-16(2)24-18-9-11-19(12-10-18)25(22,23)21(14-6-13-20)15-17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15,20H2,1-2H3
InChIKeyBPTGYHRGSNHNRC-UHFFFAOYSA-N
XLogP3.01
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-(methylsulfonylmethyl)benzenesulfonamide;hydrochloride
CID 120664178
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N-(3-aminopropyl)-N-benzyl-2-methyl-1,3-dioxoisoindole-5-sulfonamide
CID 120664335
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
N-(3-aminopropyl)-N-benzyl-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 120664173
N-(3-aminopropyl)-N-benzyl-2-(difluoromethoxy)benzenesulfonamide;hydrochloride
CID 120664041
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide (CID 120664319) is N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)N(CCCN)Cc2ccccc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is BPTGYHRGSNHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-16(2)24-18-9-11-19(12-10-18)25(22,23)21(14-6-13-20)15-17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15,20H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide?
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 120664319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).