2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide

C12H17ClN2O3S — CID 102859200

IUPAC2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17ClN2O3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2
InChIKeyGPLNHYJCYLIOEY-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide

2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102859200) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102859200
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C12H17ClN2O3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2
InChIKeyGPLNHYJCYLIOEY-UHFFFAOYSA-N
XLogP1.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-chlorophenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108815
5-chloro-2-cyano-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675845
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
2-amino-5-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61112354
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide (CID 102859200) is 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(Cl)cc1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is GPLNHYJCYLIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7,14H2.
What are the key properties of 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide?
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 304.80 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102859200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).