4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride

C15H20ClNO3S — CID 79360136

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
SMILESCC1(C)C(CNC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C15H20ClNO3S/c1-14(2)12(15(14,3)4)9-17-13(18)10-5-7-11(8-6-10)21(16,19)20/h5-8,12H,9H2,1-4H3,(H,17,18)
InChIKeyRFIOZFBRGLGIMD-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.03
Rot. Bonds4

About 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride

4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride (PubChem CID 79360136) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
PubChem CID79360136
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride
SMILESCC1(C)C(CNC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C
InChIInChI=1S/C15H20ClNO3S/c1-14(2)12(15(14,3)4)9-17-13(18)10-5-7-11(8-6-10)21(16,19)20/h5-8,12H,9H2,1-4H3,(H,17,18)
InChIKeyRFIOZFBRGLGIMD-UHFFFAOYSA-N
XLogP3.03
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-sulfamoyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359507
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 79363220
6-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79359056
4-(nonylcarbamoyl)benzenesulfonyl chloride
CID 110823481
4-(2-methylprop-2-enylcarbamoyl)benzenesulfonyl chloride
CID 114617254
4-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115519611
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
3-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 79356881
3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79352767
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 79362938
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride (CID 79360136) is 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride is CC1(C)C(CNC(=O)c2ccc(S(=O)(=O)Cl)cc2)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride?
The InChIKey is RFIOZFBRGLGIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c1-14(2)12(15(14,3)4)9-17-13(18)10-5-7-11(8-6-10)21(16,19)20/h5-8,12H,9H2,1-4H3,(H,17,18).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride?
4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride has a molecular weight of 329.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 79360136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).