N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide

C16H15ClN2O4S — CID 155705982

IUPACN-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC3)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-23-15-7-2-11(10-14(15)17)16(20)18-12-3-5-13(6-4-12)24(21,22)19-8-9-19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyFBNUIBAPCZPMFV-UHFFFAOYSA-N
MW366.83 g/mol
LogP2.61
Rot. Bonds5

About N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide

N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide (PubChem CID 155705982) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
PubChem CID155705982
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC NameN-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC3)cc2)cc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-23-15-7-2-11(10-14(15)17)16(20)18-12-3-5-13(6-4-12)24(21,22)19-8-9-19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChIKeyFBNUIBAPCZPMFV-UHFFFAOYSA-N
XLogP2.61
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 99968279
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99968232
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 1296808
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
4-(difluoromethoxy)-3-methoxy-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 26252591
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21368139
(3-chloro-4-methoxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 100688213
2-(3-chloro-4-methoxyanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824050

Frequently Asked Questions

What is the IUPAC name of N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide?
The IUPAC name of N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide (CID 155705982) is N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC3)cc2)cc1Cl.
What is the InChIKey of N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide?
The InChIKey is FBNUIBAPCZPMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-23-15-7-2-11(10-14(15)17)16(20)18-12-3-5-13(6-4-12)24(21,22)19-8-9-19/h2-7,10H,8-9H2,1H3,(H,18,20).
What are the key properties of N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide?
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide has a molecular weight of 366.83 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 155705982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).