5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride

C10H14ClNO4S — CID 65372173

IUPAC5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC(C)(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO4S/c1-6-8(17(11,14)15)5-7(16-6)9(13)12-10(2,3)4/h5H,1-4H3,(H,12,13)
InChIKeyAHYAMQRTMBYHPD-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.04
Rot. Bonds2

About 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride

5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride (PubChem CID 65372173) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
PubChem CID65372173
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
SMILESCc1oc(C(=O)NC(C)(C)C)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H14ClNO4S/c1-6-8(17(11,14)15)5-7(16-6)9(13)12-10(2,3)4/h5H,1-4H3,(H,12,13)
InChIKeyAHYAMQRTMBYHPD-UHFFFAOYSA-N
XLogP2.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65398469
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)furan-3-sulfonyl chloride
CID 106295734
5-[(4,4-dimethylcyclohexyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398806
2-methyl-5-(oxan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397430
2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]furan-3-sulfonyl chloride
CID 65396030
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65371452
5-(tert-butylcarbamoyl)-2-methyl-3-nitrobenzenesulfonyl chloride
CID 65370833
5-[3-methoxypropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398763
2-methyl-5-[(3R)-3-methylpyrrolidine-1-carbonyl]furan-3-sulfonyl chloride
CID 98113238
2-(3-methoxypropoxy)ethyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 103181618

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride?
The IUPAC name of 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride (CID 65372173) is 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride.
What is the SMILES notation for 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride?
The canonical SMILES for 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride is Cc1oc(C(=O)NC(C)(C)C)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride?
The InChIKey is AHYAMQRTMBYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-6-8(17(11,14)15)5-7(16-6)9(13)12-10(2,3)4/h5H,1-4H3,(H,12,13).
What are the key properties of 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride?
5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride has a molecular weight of 279.75 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylcarbamoyl)-2-methylfuran-3-sulfonyl chloride is sourced from PubChem (CID 65372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).