N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine

C17H24ClN3O4S3 — CID 20888811

IUPACN-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4S3/c1-4-21(5-2)12-11-19-15-16(20-17(26-15)27(22,23)6-3)28(24,25)14-9-7-13(18)8-10-14/h7-10,19H,4-6,11-12H2,1-3H3
InChIKeySFSJYIPBRVVYFB-UHFFFAOYSA-N
MW466.05 g/mol
LogP3.18
Rot. Bonds10

About N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine

N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine (PubChem CID 20888811) has the molecular formula C17H24ClN3O4S3 and a molecular weight of 466.05 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine
PubChem CID20888811
Molecular FormulaC17H24ClN3O4S3
Molecular Weight466.05 g/mol
Exact Mass465.06
IUPAC NameN-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O4S3/c1-4-21(5-2)12-11-19-15-16(20-17(26-15)27(22,23)6-3)28(24,25)14-9-7-13(18)8-10-14/h7-10,19H,4-6,11-12H2,1-3H3
InChIKeySFSJYIPBRVVYFB-UHFFFAOYSA-N
XLogP3.18
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.05
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine (CID 20888811) is N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1sc(S(=O)(=O)CC)nc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is SFSJYIPBRVVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S3/c1-4-21(5-2)12-11-19-15-16(20-17(26-15)27(22,23)6-3)28(24,25)14-9-7-13(18)8-10-14/h7-10,19H,4-6,11-12H2,1-3H3.
What are the key properties of N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine?
N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 466.05 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfonyl-2-ethylsulfonyl-1,3-thiazol-5-yl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 20888811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).