4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide

C11H17N3O3S — CID 82901171

IUPAC4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCOC2)c1
InChIInChI=1S/C11H17N3O3S/c1-13-18(15,16)9-2-3-10(12)11(6-9)14-8-4-5-17-7-8/h2-3,6,8,13-14H,4-5,7,12H2,1H3
InChIKeyMPHSOJYCDPWVFM-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.38
Rot. Bonds4

About 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide

4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide (PubChem CID 82901171) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
PubChem CID82901171
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NC2CCOC2)c1
InChIInChI=1S/C11H17N3O3S/c1-13-18(15,16)9-2-3-10(12)11(6-9)14-8-4-5-17-7-8/h2-3,6,8,13-14H,4-5,7,12H2,1H3
InChIKeyMPHSOJYCDPWVFM-UHFFFAOYSA-N
XLogP0.38
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide (CID 82901171) is 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NC2CCOC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide?
The InChIKey is MPHSOJYCDPWVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-13-18(15,16)9-2-3-10(12)11(6-9)14-8-4-5-17-7-8/h2-3,6,8,13-14H,4-5,7,12H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide?
4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide has a molecular weight of 271.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 82901171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).