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

C11H18N4O3S — CID 83003158

IUPAC4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NN2CCOCC2)c1
InChIInChI=1S/C11H18N4O3S/c1-13-19(16,17)9-2-3-10(12)11(8-9)14-15-4-6-18-7-5-15/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyBQFGBSKTFKCRSV-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.16
Rot. Bonds4

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

4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide (PubChem CID 83003158) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
PubChem CID83003158
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(NN2CCOCC2)c1
InChIInChI=1S/C11H18N4O3S/c1-13-19(16,17)9-2-3-10(12)11(8-9)14-15-4-6-18-7-5-15/h2-3,8,13-14H,4-7,12H2,1H3
InChIKeyBQFGBSKTFKCRSV-UHFFFAOYSA-N
XLogP-0.16
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-(oxolan-3-ylamino)benzenesulfonamide
CID 82901171
4-amino-3-(1,4-dioxan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 82898527
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
4-amino-3-(butan-2-ylamino)-N-methylbenzenesulfonamide
CID 82899814
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
4-amino-3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-N-methylbenzenesulfonamide
CID 106183615
4-amino-3-(4-bromoanilino)-N-methylbenzenesulfonamide
CID 82899071
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-(morpholin-4-ylamino)benzenesulfonamide
CID 83026277
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
4-amino-3-(cyclohex-3-en-1-ylamino)-N-methylbenzenesulfonamide
CID 82900583

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide (CID 83003158) is 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(NN2CCOCC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide?
The InChIKey is BQFGBSKTFKCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-13-19(16,17)9-2-3-10(12)11(8-9)14-15-4-6-18-7-5-15/h2-3,8,13-14H,4-7,12H2,1H3.
What are the key properties of 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide?
4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(morpholin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 83003158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).