2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea

C10H11ClN4O3S — CID 112691993

IUPAC2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
SMILESN#Cc1ccc(S(=O)(=O)NCCNC(N)=O)cc1Cl
InChIInChI=1S/C10H11ClN4O3S/c11-9-5-8(2-1-7(9)6-12)19(17,18)15-4-3-14-10(13)16/h1-2,5,15H,3-4H2,(H3,13,14,16)
InChIKeyWOEDYYIWVFIZHB-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.16
Rot. Bonds5

About 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea

2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea (PubChem CID 112691993) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea.

Molecular Properties

Compound Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
PubChem CID112691993
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea
SMILESN#Cc1ccc(S(=O)(=O)NCCNC(N)=O)cc1Cl
InChIInChI=1S/C10H11ClN4O3S/c11-9-5-8(2-1-7(9)6-12)19(17,18)15-4-3-14-10(13)16/h1-2,5,15H,3-4H2,(H3,13,14,16)
InChIKeyWOEDYYIWVFIZHB-UHFFFAOYSA-N
XLogP0.16
TPSA125.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-cyano-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 112703431
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
3-chloro-4-cyano-N-(6-hydroxyhexyl)benzenesulfonamide
CID 103918322
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
3-chloro-4-cyano-N-(3-iodopropyl)benzenesulfonamide
CID 106442080
3-chloro-4-cyano-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 115591016
3-chloro-N-(2-chloroprop-2-enyl)-4-cyanobenzenesulfonamide
CID 115638510
3-chloro-4-cyano-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628680
3-chloro-4-cyano-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834864
N-(2-amino-2-methylpropyl)-3-chloro-4-cyanobenzenesulfonamide;hydrochloride
CID 75431033
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
3-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 112686409

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea?
The IUPAC name of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea (CID 112691993) is 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea.
What is the SMILES notation for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea?
The canonical SMILES for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea is N#Cc1ccc(S(=O)(=O)NCCNC(N)=O)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea?
The InChIKey is WOEDYYIWVFIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c11-9-5-8(2-1-7(9)6-12)19(17,18)15-4-3-14-10(13)16/h1-2,5,15H,3-4H2,(H3,13,14,16).
What are the key properties of 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea?
2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea has a molecular weight of 302.74 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyanophenyl)sulfonylamino]ethylurea is sourced from PubChem (CID 112691993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).