2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide

C9H10Cl2N2O3S — CID 4557317

IUPAC2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C9H10Cl2N2O3S/c10-8(11)9(14)13-5-6-1-3-7(4-2-6)17(12,15)16/h1-4,8H,5H2,(H,13,14)(H2,12,15,16)
InChIKeySQQHXSHTJRLMDC-UHFFFAOYSA-N
MW297.16 g/mol
LogP0.75
Rot. Bonds4

About 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide

2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 4557317) has the molecular formula C9H10Cl2N2O3S and a molecular weight of 297.16 g/mol. Its IUPAC name is 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID4557317
Molecular FormulaC9H10Cl2N2O3S
Molecular Weight297.16 g/mol
Exact Mass295.98
IUPAC Name2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C9H10Cl2N2O3S/c10-8(11)9(14)13-5-6-1-3-7(4-2-6)17(12,15)16/h1-4,8H,5H2,(H,13,14)(H2,12,15,16)
InChIKeySQQHXSHTJRLMDC-UHFFFAOYSA-N
XLogP0.75
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 61148344
(2S)-2-amino-3-methyl-N-[(4-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119263313
4-amino-5-oxo-5-[(4-sulfamoylphenyl)methylamino]pentanoic acid
CID 64895393
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
(2R)-2-amino-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 104906766
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
1-(2-methylpropyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 47133593
2-phenyl-2-phenylsulfanyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2904729
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 4557317) is 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is SQQHXSHTJRLMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3S/c10-8(11)9(14)13-5-6-1-3-7(4-2-6)17(12,15)16/h1-4,8H,5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide?
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 297.16 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 4557317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).