6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

C22H25ClN4O3S2 — CID 23130879

IUPAC6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESC/N=c1\sc(C2CCN(C(=O)CNS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cn1C
InChIInChI=1S/C22H25ClN4O3S2/c1-24-22-26(2)14-20(31-22)15-7-9-27(10-8-15)21(28)13-25-32(29,30)19-6-4-16-11-18(23)5-3-17(16)12-19/h3-6,11-12,14-15,25H,7-10,13H2,1-2H3/b24-22-
InChIKeyUTYSCJUZOPTTCV-GYHWCHFESA-N
MW493.05 g/mol
LogP3.11
Rot. Bonds5

About 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide

6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 23130879) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
PubChem CID23130879
Molecular FormulaC22H25ClN4O3S2
Molecular Weight493.05 g/mol
Exact Mass492.11
IUPAC Name6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide
SMILESC/N=c1\sc(C2CCN(C(=O)CNS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cn1C
InChIInChI=1S/C22H25ClN4O3S2/c1-24-22-26(2)14-20(31-22)15-7-9-27(10-8-15)21(28)13-25-32(29,30)19-6-4-16-11-18(23)5-3-17(16)12-19/h3-6,11-12,14-15,25H,7-10,13H2,1-2H3/b24-22-
InChIKeyUTYSCJUZOPTTCV-GYHWCHFESA-N
XLogP3.11
TPSA83.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide (CID 23130879) is 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is C/N=c1\sc(C2CCN(C(=O)CNS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cn1C.
What is the InChIKey of 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
The InChIKey is UTYSCJUZOPTTCV-GYHWCHFESA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-24-22-26(2)14-20(31-22)15-7-9-27(10-8-15)21(28)13-25-32(29,30)19-6-4-16-11-18(23)5-3-17(16)12-19/h3-6,11-12,14-15,25H,7-10,13H2,1-2H3/b24-22-.
What are the key properties of 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide?
6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide has a molecular weight of 493.05 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(3-methyl-2-methylimino-1,3-thiazol-5-yl)piperidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 23130879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).