N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide

C15H21ClN2O6S2 — CID 119052458

IUPACN-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NS(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O6S2/c1-18(2)26(22,23)11-4-5-12(16)13(10-11)25(20,21)17-14(19)15(6-7-15)8-9-24-3/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyLPOYZIHMNNIBEG-UHFFFAOYSA-N
MW424.93 g/mol
LogP1.21
Rot. Bonds8

About N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide

N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 119052458) has the molecular formula C15H21ClN2O6S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID119052458
Molecular FormulaC15H21ClN2O6S2
Molecular Weight424.93 g/mol
Exact Mass424.05
IUPAC NameN-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NS(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1
InChIInChI=1S/C15H21ClN2O6S2/c1-18(2)26(22,23)11-4-5-12(16)13(10-11)25(20,21)17-14(19)15(6-7-15)8-9-24-3/h4-5,10H,6-9H2,1-3H3,(H,17,19)
InChIKeyLPOYZIHMNNIBEG-UHFFFAOYSA-N
XLogP1.21
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-3-methoxy-2-methylpropanamide
CID 100768326
2,5-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzenesulfonamide
CID 17248785
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685378
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
5-(dimethylsulfamoyl)-2-(3-methoxypropylamino)benzoic acid
CID 60658564
2-chloro-N-(4,4-dimethylpentyl)-5-(dimethylsulfamoyl)benzamide
CID 110617791
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
3-chloro-4-(1-methoxypropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 86657661
methyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742573
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
N-(4-acetamidobutyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 110356795

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 119052458) is N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCC1(C(=O)NS(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)CC1.
What is the InChIKey of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is LPOYZIHMNNIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O6S2/c1-18(2)26(22,23)11-4-5-12(16)13(10-11)25(20,21)17-14(19)15(6-7-15)8-9-24-3/h4-5,10H,6-9H2,1-3H3,(H,17,19).
What are the key properties of N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide?
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylsulfamoyl)phenyl]sulfonyl-1-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119052458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).