2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide

C9H10Cl2N2O4S — CID 78895747

IUPAC2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-4-7(5(2)17-12-4)18(15,16)13-8(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14)
InChIKeyVQOGYASMPGQZJC-UHFFFAOYSA-N
MW313.16 g/mol
LogP1.29
Rot. Bonds3

About 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 78895747) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID78895747
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC Name2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)NC(=O)C1CC1(Cl)Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-4-7(5(2)17-12-4)18(15,16)13-8(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14)
InChIKeyVQOGYASMPGQZJC-UHFFFAOYSA-N
XLogP1.29
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
(2S)-2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]butanamide
CID 99130170
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762749
(3S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-oxopyrrolidine-3-carboxamide
CID 95760428
(1S)-2,2-dichloro-N-(2-fluoro-4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 95971121
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
N-(1-adamantylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 17476150
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 66007194
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86997801
[2-(1-adamantyl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737017
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide (CID 78895747) is 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide is Cc1noc(C)c1S(=O)(=O)NC(=O)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is VQOGYASMPGQZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c1-4-7(5(2)17-12-4)18(15,16)13-8(14)6-3-9(6,10)11/h6H,3H2,1-2H3,(H,13,14).
What are the key properties of 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 313.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78895747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).