4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride

C14H18ClNO3S — CID 107000623

IUPAC4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride
SMILESCC(NC(=O)C1CC1(C)C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H18ClNO3S/c1-9(16-13(17)12-8-14(12,2)3)10-4-6-11(7-5-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyKILYYSMOVLVQLV-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.84
Rot. Bonds4

About 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride

4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride (PubChem CID 107000623) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride
PubChem CID107000623
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride
SMILESCC(NC(=O)C1CC1(C)C)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H18ClNO3S/c1-9(16-13(17)12-8-14(12,2)3)10-4-6-11(7-5-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17)
InChIKeyKILYYSMOVLVQLV-UHFFFAOYSA-N
XLogP2.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 103839225
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
(1R)-2,2-difluoro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058749
(2R)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylbutanoic acid
CID 107000447
4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride
CID 65214562
4-(1-formamidoethyl)benzenesulfonyl chloride
CID 43135256
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81355599

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride (CID 107000623) is 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride is CC(NC(=O)C1CC1(C)C)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride?
The InChIKey is KILYYSMOVLVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-9(16-13(17)12-8-14(12,2)3)10-4-6-11(7-5-10)20(15,18)19/h4-7,9,12H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride?
4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 107000623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).