2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide

C9H11ClN4O3S — CID 2847090

IUPAC2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
SMILESNC(N)=NS(=O)(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C9H11ClN4O3S/c10-5-8(15)13-6-1-3-7(4-2-6)18(16,17)14-9(11)12/h1-4H,5H2,(H,13,15)(H4,11,12,14)
InChIKeyNVPHLKLYVZYDSW-UHFFFAOYSA-N
MW290.73 g/mol
LogP-0.17
Rot. Bonds4

About 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide

2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide (PubChem CID 2847090) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
PubChem CID2847090
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
SMILESNC(N)=NS(=O)(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C9H11ClN4O3S/c10-5-8(15)13-6-1-3-7(4-2-6)18(16,17)14-9(11)12/h1-4H,5H2,(H,13,15)(H4,11,12,14)
InChIKeyNVPHLKLYVZYDSW-UHFFFAOYSA-N
XLogP-0.17
TPSA127.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(diaminomethylideneamino)sulfonyl-2-nitrophenyl]acetamide
CID 16761096
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
dimethyl (E)-2-[4-(diaminomethylideneamino)sulfonylanilino]but-2-enedioate
CID 168565933
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2,4-dimethyl-6-propan-2-ylpyridin-1-ium-1-yl)propanamide
CID 10768223
N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-nitrobenzamide
CID 2289055
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(4-phenyl-2,6-dipropylpyridin-1-ium-1-yl)propanamide
CID 10793799
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(diaminomethylideneamino)sulfonylphenyl]-3-(2-ethyl-4,6-diphenylpyridin-1-ium-1-yl)propanamide
CID 10416531
2-[4-(benzenesulfonamido)phenyl]sulfonylguanidine
CID 2842661
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide (CID 2847090) is 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide is NC(N)=NS(=O)(=O)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide?
The InChIKey is NVPHLKLYVZYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c10-5-8(15)13-6-1-3-7(4-2-6)18(16,17)14-9(11)12/h1-4H,5H2,(H,13,15)(H4,11,12,14).
What are the key properties of 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide?
2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide has a molecular weight of 290.73 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide is sourced from PubChem (CID 2847090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).