N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide

C14H22ClN3O2S — CID 79537742

IUPACN-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(CC1CCCN1)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-10(8-11-4-3-7-16-11)17-14-9-12(5-6-13(14)15)18-21(2,19)20/h5-6,9-11,16-18H,3-4,7-8H2,1-2H3
InChIKeyVNHJEDAHLVMFTJ-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.65
Rot. Bonds6

About N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide

N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 79537742) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
PubChem CID79537742
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(CC1CCCN1)Nc1cc(NS(C)(=O)=O)ccc1Cl
InChIInChI=1S/C14H22ClN3O2S/c1-10(8-11-4-3-7-16-11)17-14-9-12(5-6-13(14)15)18-21(2,19)20/h5-6,9-11,16-18H,3-4,7-8H2,1-2H3
InChIKeyVNHJEDAHLVMFTJ-UHFFFAOYSA-N
XLogP2.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide (CID 79537742) is N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide is CC(CC1CCCN1)Nc1cc(NS(C)(=O)=O)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is VNHJEDAHLVMFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2S/c1-10(8-11-4-3-7-16-11)17-14-9-12(5-6-13(14)15)18-21(2,19)20/h5-6,9-11,16-18H,3-4,7-8H2,1-2H3.
What are the key properties of N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide?
N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 331.87 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 79537742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).