2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide

C15H14ClN3O5S — CID 55508645

IUPAC2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
SMILESCc1c(Cl)cc(S(=O)(=O)NC(C(N)=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O5S/c1-9-12(16)7-11(8-13(9)19(21)22)25(23,24)18-14(15(17)20)10-5-3-2-4-6-10/h2-8,14,18H,1H3,(H2,17,20)
InChIKeyBSOFIOSQDDIQQP-UHFFFAOYSA-N
MW383.81 g/mol
LogP2.06
Rot. Bonds6

About 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide

2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide (PubChem CID 55508645) has the molecular formula C15H14ClN3O5S and a molecular weight of 383.81 g/mol. Its IUPAC name is 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
PubChem CID55508645
Molecular FormulaC15H14ClN3O5S
Molecular Weight383.81 g/mol
Exact Mass383.03
IUPAC Name2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
SMILESCc1c(Cl)cc(S(=O)(=O)NC(C(N)=O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClN3O5S/c1-9-12(16)7-11(8-13(9)19(21)22)25(23,24)18-14(15(17)20)10-5-3-2-4-6-10/h2-8,14,18H,1H3,(H2,17,20)
InChIKeyBSOFIOSQDDIQQP-UHFFFAOYSA-N
XLogP2.06
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-phenylacetamide
CID 51291589
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
3-chloro-4-methyl-5-nitro-N-[4-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 27993527
3-chloro-4-methyl-5-nitrobenzenesulfonohydrazide
CID 43104461
N-benzyl-3-chloro-4-methyl-5-nitrobenzenesulfonamide
CID 8777725
methyl (2S)-2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-4-methylpentanoate
CID 8798204
3-chloro-N-(4-hydroxybutan-2-yl)-4-methyl-5-nitrobenzenesulfonamide
CID 115477839
(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892
3-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66166271
3-chloro-N-(1-cyanopropyl)-4-methyl-5-nitrobenzenesulfonamide
CID 61124058

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The IUPAC name of 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide (CID 55508645) is 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The canonical SMILES for 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide is Cc1c(Cl)cc(S(=O)(=O)NC(C(N)=O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
The InChIKey is BSOFIOSQDDIQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5S/c1-9-12(16)7-11(8-13(9)19(21)22)25(23,24)18-14(15(17)20)10-5-3-2-4-6-10/h2-8,14,18H,1H3,(H2,17,20).
What are the key properties of 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide?
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide has a molecular weight of 383.81 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide is sourced from PubChem (CID 55508645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).