2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide

C10H9ClN4O2S — CID 114052205

IUPAC2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1nccc(Cl)n1
InChIInChI=1S/C10H9ClN4O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,12H2,(H,13,14,15)
InChIKeyNPVMMCMQMJLIPC-UHFFFAOYSA-N
MW284.73 g/mol
LogP1.51
Rot. Bonds3

About 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide

2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide (PubChem CID 114052205) has the molecular formula C10H9ClN4O2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
PubChem CID114052205
Molecular FormulaC10H9ClN4O2S
Molecular Weight284.73 g/mol
Exact Mass284.01
IUPAC Name2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide
SMILESNc1ccccc1S(=O)(=O)Nc1nccc(Cl)n1
InChIInChI=1S/C10H9ClN4O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,12H2,(H,13,14,15)
InChIKeyNPVMMCMQMJLIPC-UHFFFAOYSA-N
XLogP1.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037
N-(4-chloropyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 114052249
2-amino-N-(1,3-oxazol-2-yl)benzenesulfonamide
CID 154131692
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
4-amino-N-(4-chloropyrimidin-2-yl)-2-methylbenzenesulfonothioamide
CID 154297132
N-pyrimidin-2-ylnaphthalene-1-sulfonamide
CID 75483860
N-(4-cyclopropylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 126825107
2-amino-6-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794709
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
CID 3395522

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide (CID 114052205) is 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide is Nc1ccccc1S(=O)(=O)Nc1nccc(Cl)n1.
What is the InChIKey of 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide?
The InChIKey is NPVMMCMQMJLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S/c11-9-5-6-13-10(14-9)15-18(16,17)8-4-2-1-3-7(8)12/h1-6H,12H2,(H,13,14,15).
What are the key properties of 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide?
2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide has a molecular weight of 284.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloropyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 114052205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).