3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide

C11H19N3O2S — CID 54887840

IUPAC3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
SMILESCC(C)C(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-7(2)8(3)14-10-4-9(12)5-11(6-10)17(13,15)16/h4-8,14H,12H2,1-3H3,(H2,13,15,16)
InChIKeyWUMXMBVKALABGA-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.37
Rot. Bonds4

About 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide

3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide (PubChem CID 54887840) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
PubChem CID54887840
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide
SMILESCC(C)C(C)Nc1cc(N)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H19N3O2S/c1-7(2)8(3)14-10-4-9(12)5-11(6-10)17(13,15)16/h4-8,14H,12H2,1-3H3,(H2,13,15,16)
InChIKeyWUMXMBVKALABGA-UHFFFAOYSA-N
XLogP1.37
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Oryzalin metabolite OR-7
CID 121474266
4-Amino-N-(3,5-bis-methylamino-phenyl)-benzenesulfonamide
CID 10757046
3-amino-4-(cyclohexylamino)-N-methylbenzenesulfonamide
CID 43449113
3-amino-4-(cyclohexylamino)-N-ethylbenzenesulfonamide
CID 121334908
3-amino-4-(cyclopentylamino)-N-ethylbenzenesulfonamide
CID 121334950
3-amino-4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 121334953
4-(Allylamino)Benzenesulfonamide
CID 62141270
3-Amino-N,N-diethylbenzene-1-sulfonamide
CID 2963515
3-Piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 16189246
3-amino-4-(butylamino)-N,N-diethylbenzene-1-sulfonamide
CID 3595475
3-Amino-N,N-diethyl-4-(ethylamino)benzenesulfonamide
CID 3781296
3-amino-N,N-diethyl-4-(propylamino)benzenesulfonamide
CID 3810560

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide (CID 54887840) is 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide is CC(C)C(C)Nc1cc(N)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide?
The InChIKey is WUMXMBVKALABGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(2)8(3)14-10-4-9(12)5-11(6-10)17(13,15)16/h4-8,14H,12H2,1-3H3,(H2,13,15,16).
What are the key properties of 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide?
3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methylbutan-2-ylamino)benzenesulfonamide is sourced from PubChem (CID 54887840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).