3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C11H15ClN2O3S — CID 43098597

IUPAC3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7,13H2
InChIKeyIVJBUIBEJGXBKL-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.38
Rot. Bonds4

About 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 43098597) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID43098597
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7,13H2
InChIKeyIVJBUIBEJGXBKL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
3-amino-4-nitro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82854404
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 43098597) is 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IVJBUIBEJGXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-4-3-9(6-11(10)13)18(15,16)14-7-8-2-1-5-17-8/h3-4,6,8,14H,1-2,5,7,13H2.
What are the key properties of 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 290.77 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43098597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).