2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride

C12H9Cl2N3O3S — CID 2757894

IUPAC2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O3S/c13-9-7-8(4-5-10(9)21(14,19)20)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyKWBJUBFTBJBMKT-UHFFFAOYSA-N
MW346.20 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride

2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride (PubChem CID 2757894) has the molecular formula C12H9Cl2N3O3S and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride
PubChem CID2757894
Molecular FormulaC12H9Cl2N3O3S
Molecular Weight346.20 g/mol
Exact Mass344.97
IUPAC Name2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)Nc1ccccn1
InChIInChI=1S/C12H9Cl2N3O3S/c13-9-7-8(4-5-10(9)21(14,19)20)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18)
InChIKeyKWBJUBFTBJBMKT-UHFFFAOYSA-N
XLogP3.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea
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CID 108894633
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
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1-hydroxy-3-pyridin-2-ylurea
CID 20612761
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-pyridin-2-yloxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride (CID 2757894) is 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)c(Cl)c1)Nc1ccccn1.
What is the InChIKey of 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride?
The InChIKey is KWBJUBFTBJBMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O3S/c13-9-7-8(4-5-10(9)21(14,19)20)16-12(18)17-11-3-1-2-6-15-11/h1-7H,(H2,15,16,17,18).
What are the key properties of 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride?
2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride has a molecular weight of 346.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyridin-2-ylcarbamoylamino)benzenesulfonyl chloride is sourced from PubChem (CID 2757894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).