2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide

C11H13ClN2O3S2 — CID 61251576

IUPAC2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN2O3S2/c1-8(4-5-9-3-2-6-17-9)14-19(15,16)10-7-13-11(12)18-10/h2-3,6-8,14H,4-5H2,1H3
InChIKeyBSEKDQKAWYZPBU-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.69
Rot. Bonds6

About 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 61251576) has the molecular formula C11H13ClN2O3S2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
PubChem CID61251576
Molecular FormulaC11H13ClN2O3S2
Molecular Weight320.82 g/mol
Exact Mass320.01
IUPAC Name2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide
SMILESCC(CCc1ccco1)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H13ClN2O3S2/c1-8(4-5-9-3-2-6-17-9)14-19(15,16)10-7-13-11(12)18-10/h2-3,6-8,14H,4-5H2,1H3
InChIKeyBSEKDQKAWYZPBU-UHFFFAOYSA-N
XLogP2.69
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(4-methoxybutan-2-yl)-1,3-thiazole-5-sulfonamide
CID 64603615
N-[4-(furan-2-yl)butan-2-yl]-3-hydrazinylpyridine-2-sulfonamide
CID 103301188
4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 65482008
N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
2,5-dibromo-N-[4-(furan-2-yl)butan-2-yl]benzenesulfonamide
CID 60652421
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
N-[(2R)-4-(furan-2-yl)butan-2-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7354301
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122
3-amino-N-[4-(furan-2-yl)butan-2-yl]propane-1-sulfonamide
CID 54967741
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 91811051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide (CID 61251576) is 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide is CC(CCc1ccco1)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is BSEKDQKAWYZPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S2/c1-8(4-5-9-3-2-6-17-9)14-19(15,16)10-7-13-11(12)18-10/h2-3,6-8,14H,4-5H2,1H3.
What are the key properties of 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 320.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61251576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).