2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide

C11H17N3O2S — CID 79724380

IUPAC2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
SMILESCc1ccc(NC2CCNC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-8-2-3-9(6-11(8)17(12,15)16)14-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7H2,1H3,(H2,12,15,16)
InChIKeyMHMLLHXUQRIXGH-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.42
Rot. Bonds3

About 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide

2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide (PubChem CID 79724380) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
PubChem CID79724380
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
SMILESCc1ccc(NC2CCNC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-8-2-3-9(6-11(8)17(12,15)16)14-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7H2,1H3,(H2,12,15,16)
InChIKeyMHMLLHXUQRIXGH-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide (CID 79724380) is 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide is Cc1ccc(NC2CCNC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide?
The InChIKey is MHMLLHXUQRIXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-2-3-9(6-11(8)17(12,15)16)14-10-4-5-13-7-10/h2-3,6,10,13-14H,4-5,7H2,1H3,(H2,12,15,16).
What are the key properties of 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide?
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 79724380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).