1,3-bis[(3-chlorophenyl)sulfonyl]urea

C13H10Cl2N2O5S2 — CID 155928665

IUPAC1,3-bis[(3-chlorophenyl)sulfonyl]urea
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O5S2/c14-9-3-1-5-11(7-9)23(19,20)16-13(18)17-24(21,22)12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
InChIKeyQRXWGOVBFWNIHQ-UHFFFAOYSA-N
MW409.27 g/mol
LogP2.37
Rot. Bonds4

About 1,3-bis[(3-chlorophenyl)sulfonyl]urea

1,3-bis[(3-chlorophenyl)sulfonyl]urea (PubChem CID 155928665) has the molecular formula C13H10Cl2N2O5S2 and a molecular weight of 409.27 g/mol. Its IUPAC name is 1,3-bis[(3-chlorophenyl)sulfonyl]urea.

Molecular Properties

Compound Name1,3-bis[(3-chlorophenyl)sulfonyl]urea
PubChem CID155928665
Molecular FormulaC13H10Cl2N2O5S2
Molecular Weight409.27 g/mol
Exact Mass407.94
IUPAC Name1,3-bis[(3-chlorophenyl)sulfonyl]urea
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O5S2/c14-9-3-1-5-11(7-9)23(19,20)16-13(18)17-24(21,22)12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18)
InChIKeyQRXWGOVBFWNIHQ-UHFFFAOYSA-N
XLogP2.37
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)sulfonylurea
CID 117060605
1-(3-chlorophenyl)sulfonyl-3-(2-sulfanylethyl)urea
CID 44587907
N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
CID 44587806
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
1-[4-bromo-6-[(3-chlorophenyl)sulfonylcarbamoylamino]-2-pyridinyl]-3-(3-chlorophenyl)sulfonylurea
CID 42630115
3-chlorobenzenesulfonohydrazide
CID 12924057
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
[(3-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035624
[(3-chlorophenyl)sulfonylamino]thiourea
CID 65214631
5-chloro-N-(3-chlorophenyl)sulfonyl-6-oxo-1H-pyridine-3-carboxamide
CID 71939665

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-chlorophenyl)sulfonyl]urea?
The IUPAC name of 1,3-bis[(3-chlorophenyl)sulfonyl]urea (CID 155928665) is 1,3-bis[(3-chlorophenyl)sulfonyl]urea.
What is the SMILES notation for 1,3-bis[(3-chlorophenyl)sulfonyl]urea?
The canonical SMILES for 1,3-bis[(3-chlorophenyl)sulfonyl]urea is O=C(NS(=O)(=O)c1cccc(Cl)c1)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1,3-bis[(3-chlorophenyl)sulfonyl]urea?
The InChIKey is QRXWGOVBFWNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O5S2/c14-9-3-1-5-11(7-9)23(19,20)16-13(18)17-24(21,22)12-6-2-4-10(15)8-12/h1-8H,(H2,16,17,18).
What are the key properties of 1,3-bis[(3-chlorophenyl)sulfonyl]urea?
1,3-bis[(3-chlorophenyl)sulfonyl]urea has a molecular weight of 409.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(3-chlorophenyl)sulfonyl]urea is sourced from PubChem (CID 155928665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).