N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride

C15H17Cl2N3O2S — CID 66714686

IUPACN-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1.Cl
InChIInChI=1S/C15H16ClN3O2S.ClH/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14,19H,7,17H2,1H3;1H/t13-,14+;/m0./s1
InChIKeyRAPDRBYMINRJHF-LMRHVHIWSA-N
MW374.29 g/mol
LogP3.01
Rot. Bonds4

About N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride

N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride (PubChem CID 66714686) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
PubChem CID66714686
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC NameN-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)Nc1cc(Cl)cc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1.Cl
InChIInChI=1S/C15H16ClN3O2S.ClH/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14,19H,7,17H2,1H3;1H/t13-,14+;/m0./s1
InChIKeyRAPDRBYMINRJHF-LMRHVHIWSA-N
XLogP3.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride (CID 66714686) is N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride is CS(=O)(=O)Nc1cc(Cl)cc(-c2ccc([C@@H]3C[C@H]3N)cn2)c1.Cl.
What is the InChIKey of N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride?
The InChIKey is RAPDRBYMINRJHF-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H16ClN3O2S.ClH/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17;/h2-6,8,13-14,19H,7,17H2,1H3;1H/t13-,14+;/m0./s1.
What are the key properties of N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride?
N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride has a molecular weight of 374.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]-5-chlorophenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 66714686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).