2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C19H24ClN3O4S — CID 22955866

IUPAC2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C19H24ClN3O4S/c1-4-23(5-2)16-7-8-17(14(3)12-16)22-19(24)27-10-11-28(25,26)18-9-6-15(20)13-21-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyTZBNHPDWKBLMJT-UHFFFAOYSA-N
MW425.94 g/mol
LogP3.91
Rot. Bonds8

About 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 22955866) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID22955866
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccc(Cl)cn2)c(C)c1
InChIInChI=1S/C19H24ClN3O4S/c1-4-23(5-2)16-7-8-17(14(3)12-16)22-19(24)27-10-11-28(25,26)18-9-6-15(20)13-21-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24)
InChIKeyTZBNHPDWKBLMJT-UHFFFAOYSA-N
XLogP3.91
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate 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 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 22955866) is 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OCCS(=O)(=O)c2ccc(Cl)cn2)c(C)c1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is TZBNHPDWKBLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-4-23(5-2)16-7-8-17(14(3)12-16)22-19(24)27-10-11-28(25,26)18-9-6-15(20)13-21-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,24).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 425.94 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 22955866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).