6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide

C24H30ClN3O4S — CID 10117344

IUPAC6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(N(C)S(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)C1
InChIInChI=1S/C24H30ClN3O4S/c1-16-6-5-12-27(15-16)23(29)17(2)28-13-11-21(24(28)30)26(3)33(31,32)22-8-4-7-18-14-19(25)9-10-20(18)22/h4,7-10,14,16-17,21H,5-6,11-13,15H2,1-3H3/t16-,17+,21?/m0/s1
InChIKeyKCSRRRNFUMMZJH-NXRUOVBSSA-N
MW492.04 g/mol
LogP3.36
Rot. Bonds5

About 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide

6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide (PubChem CID 10117344) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide
PubChem CID10117344
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide
SMILESC[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(N(C)S(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)C1
InChIInChI=1S/C24H30ClN3O4S/c1-16-6-5-12-27(15-16)23(29)17(2)28-13-11-21(24(28)30)26(3)33(31,32)22-8-4-7-18-14-19(25)9-10-20(18)22/h4,7-10,14,16-17,21H,5-6,11-13,15H2,1-3H3/t16-,17+,21?/m0/s1
InChIKeyKCSRRRNFUMMZJH-NXRUOVBSSA-N
XLogP3.36
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide?
The IUPAC name of 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide (CID 10117344) is 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide?
The canonical SMILES for 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide is C[C@H]1CCCN(C(=O)[C@@H](C)N2CCC(N(C)S(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)C1.
What is the InChIKey of 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide?
The InChIKey is KCSRRRNFUMMZJH-NXRUOVBSSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-16-6-5-12-27(15-16)23(29)17(2)28-13-11-21(24(28)30)26(3)33(31,32)22-8-4-7-18-14-19(25)9-10-20(18)22/h4,7-10,14,16-17,21H,5-6,11-13,15H2,1-3H3/t16-,17+,21?/m0/s1.
What are the key properties of 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide?
6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide has a molecular weight of 492.04 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[1-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10117344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).