N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide

C11H15ClN2O3S — CID 63246560

IUPACN-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNc1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyFRYPICQZYOOMSR-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.84
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide

N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246560) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246560
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNc1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2
InChIKeyFRYPICQZYOOMSR-UHFFFAOYSA-N
XLogP1.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.84
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

3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247049
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(4-amino-3-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246840
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
CID 116814305
4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide
CID 127266011
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246560) is N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide is Nc1ccc(NS(=O)(=O)CC2CCCO2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is FRYPICQZYOOMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-6-8(13)3-4-11(10)14-18(15,16)7-9-2-1-5-17-9/h3-4,6,9,14H,1-2,5,7,13H2.
What are the key properties of N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).