N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide

C11H19ClN2O2S2 — CID 43455931

IUPACN,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H19ClN2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)10-9-13-11(12)17-10/h9H,3-8H2,1-2H3
InChIKeyMDHZNLAYTNUPPT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.39
Rot. Bonds8

About N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide

N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 43455931) has the molecular formula C11H19ClN2O2S2 and a molecular weight of 310.87 g/mol. Its IUPAC name is N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID43455931
Molecular FormulaC11H19ClN2O2S2
Molecular Weight310.87 g/mol
Exact Mass310.06
IUPAC NameN,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H19ClN2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)10-9-13-11(12)17-10/h9H,3-8H2,1-2H3
InChIKeyMDHZNLAYTNUPPT-UHFFFAOYSA-N
XLogP3.39
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,N-dipropyl-1,3-thiazole-5-sulfonamide
CID 43427518
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046479
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
2-chloro-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-5-sulfonamide
CID 79481379
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61042679
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
ethyl 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]acetate
CID 54969412
5-(2-aminoethyl)-N,N-dibutylthiophene-2-sulfonamide
CID 43520957
2-chloro-N-(2-cyanoethyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61052655
2-chloro-N-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43427433

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide (CID 43455931) is N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide is CCCCN(CCCC)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is MDHZNLAYTNUPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2S2/c1-3-5-7-14(8-6-4-2)18(15,16)10-9-13-11(12)17-10/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide?
N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 310.87 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).