N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide

C11H13N3O3S — CID 114186437

IUPACN-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccno2)cc1
InChIInChI=1S/C11H13N3O3S/c1-12-18(15,16)11-4-2-9(3-5-11)13-8-10-6-7-14-17-10/h2-7,12-13H,8H2,1H3
InChIKeyKKUPUEDNOGHPSC-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.19
Rot. Bonds5

About N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide

N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide (PubChem CID 114186437) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
PubChem CID114186437
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccno2)cc1
InChIInChI=1S/C11H13N3O3S/c1-12-18(15,16)11-4-2-9(3-5-11)13-8-10-6-7-14-17-10/h2-7,12-13H,8H2,1H3
InChIKeyKKUPUEDNOGHPSC-UHFFFAOYSA-N
XLogP1.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
N-methyl-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 43453835
4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 43453851
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
3-N-methyl-5-N-(1,2-oxazol-5-ylmethyl)pyridine-3,5-diamine
CID 106424548
N-methyl-4-(2-propan-2-yloxyethylamino)benzenesulfonamide
CID 104762386

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide (CID 114186437) is N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccno2)cc1.
What is the InChIKey of N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
The InChIKey is KKUPUEDNOGHPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-12-18(15,16)11-4-2-9(3-5-11)13-8-10-6-7-14-17-10/h2-7,12-13H,8H2,1H3.
What are the key properties of N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide?
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 114186437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).