1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide

C13H22N2O3S — CID 61111090

IUPAC1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-3-8-15(9-10-16)19(17,18)11-12-4-6-13(14)7-5-12/h4-7,16H,2-3,8-11,14H2,1H3
InChIKeyIIGRMKJJWNZOKY-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.19
Rot. Bonds8

About 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide

1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 61111090) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID61111090
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C13H22N2O3S/c1-2-3-8-15(9-10-16)19(17,18)11-12-4-6-13(14)7-5-12/h4-7,16H,2-3,8-11,14H2,1H3
InChIKeyIIGRMKJJWNZOKY-UHFFFAOYSA-N
XLogP1.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 63766951
N-(2-bromoethyl)-N-butyl-1-phenylmethanesulfonamide
CID 80669812
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
N-(3-aminopropyl)-1-phenyl-N-propylmethanesulfonamide
CID 43136946
N-butyl-N-(2-hydroxyethyl)-2-pyridin-4-ylethanesulfonamide
CID 61448116
1-(4-aminophenyl)-N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61138289
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
1-[4-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107479114
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide (CID 61111090) is 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide is CCCCN(CCO)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is IIGRMKJJWNZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-3-8-15(9-10-16)19(17,18)11-12-4-6-13(14)7-5-12/h4-7,16H,2-3,8-11,14H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide?
1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-butyl-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 61111090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).