(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

C14H16Cl2N2O4S — CID 7925606

IUPAC(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C14H16Cl2N2O4S/c15-14(16)9-12(14)13(19)17-10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8,12H,4-7,9H2,(H,17,19)/t12-/m0/s1
InChIKeyNKYFYZHAHHLVCR-LBPRGKRZSA-N
MW379.27 g/mol
LogP1.84
Rot. Bonds4

About (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 7925606) has the molecular formula C14H16Cl2N2O4S and a molecular weight of 379.27 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID7925606
Molecular FormulaC14H16Cl2N2O4S
Molecular Weight379.27 g/mol
Exact Mass378.02
IUPAC Name(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C14H16Cl2N2O4S/c15-14(16)9-12(14)13(19)17-10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8,12H,4-7,9H2,(H,17,19)/t12-/m0/s1
InChIKeyNKYFYZHAHHLVCR-LBPRGKRZSA-N
XLogP1.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
1-(3-acetylphenyl)-3-(3-morpholin-4-ylsulfonylphenyl)urea
CID 2956467
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclohexene-1-carboxamide
CID 17452404
2-(4-chlorophenyl)sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3424032
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3368356

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 7925606) is (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is NKYFYZHAHHLVCR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4S/c15-14(16)9-12(14)13(19)17-10-2-1-3-11(8-10)23(20,21)18-4-6-22-7-5-18/h1-3,8,12H,4-7,9H2,(H,17,19)/t12-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 379.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7925606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).