N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide

C17H23N3O2S2 — CID 8750581

IUPACN,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-3-20(4-2)24(21,22)15-9-7-14(8-10-15)16-13-23-17(18-16)19-11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyDHGLNBGDGZMIAW-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.44
Rot. Bonds6

About N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide

N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 8750581) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID8750581
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2csc(N3CCCC3)n2)cc1
InChIInChI=1S/C17H23N3O2S2/c1-3-20(4-2)24(21,22)15-9-7-14(8-10-15)16-13-23-17(18-16)19-11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3
InChIKeyDHGLNBGDGZMIAW-UHFFFAOYSA-N
XLogP3.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide (CID 8750581) is N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2csc(N3CCCC3)n2)cc1.
What is the InChIKey of N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is DHGLNBGDGZMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-3-20(4-2)24(21,22)15-9-7-14(8-10-15)16-13-23-17(18-16)19-11-5-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide?
N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 8750581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).