ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate

C17H17Cl2N3O5S — CID 43002856

IUPACethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O5S/c1-2-27-17(24)21-20-16(23)9-11-3-5-12(6-4-11)22-28(25,26)13-7-8-14(18)15(19)10-13/h3-8,10,22H,2,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyKVYZSICJMRVIRQ-UHFFFAOYSA-N
MW446.31 g/mol
LogP3.11
Rot. Bonds6

About ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate

ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate (PubChem CID 43002856) has the molecular formula C17H17Cl2N3O5S and a molecular weight of 446.31 g/mol. Its IUPAC name is ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
PubChem CID43002856
Molecular FormulaC17H17Cl2N3O5S
Molecular Weight446.31 g/mol
Exact Mass445.03
IUPAC Nameethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H17Cl2N3O5S/c1-2-27-17(24)21-20-16(23)9-11-3-5-12(6-4-11)22-28(25,26)13-7-8-14(18)15(19)10-13/h3-8,10,22H,2,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyKVYZSICJMRVIRQ-UHFFFAOYSA-N
XLogP3.11
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 27666170
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 55947118
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35009367
3,4-dichloro-N-[4-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]phenyl]benzenesulfonamide
CID 86877634
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27711021
N-(3,4-dichlorophenyl)-4-[3-(4-ethylphenyl)-2-sulfanylidenepropyl]benzenesulfonamide
CID 162264175
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
CID 2416586
ethyl N-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]carbamate
CID 25494260
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
CID 5011589
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate?
The IUPAC name of ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate (CID 43002856) is ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate?
The canonical SMILES for ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate is CCOC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate?
The InChIKey is KVYZSICJMRVIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O5S/c1-2-27-17(24)21-20-16(23)9-11-3-5-12(6-4-11)22-28(25,26)13-7-8-14(18)15(19)10-13/h3-8,10,22H,2,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate?
ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate has a molecular weight of 446.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate is sourced from PubChem (CID 43002856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).