5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide

C11H10Cl2N4O2S — CID 106071940

IUPAC5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncccn2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O2S/c12-8-5-9(13)10(4-7(8)6-14)20(18,19)17-11-15-2-1-3-16-11/h1-5H,6,14H2,(H,15,16,17)
InChIKeyKHCQSGWNOKPEER-UHFFFAOYSA-N
MW333.20 g/mol
LogP2.04
Rot. Bonds4

About 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide

5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 106071940) has the molecular formula C11H10Cl2N4O2S and a molecular weight of 333.20 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID106071940
Molecular FormulaC11H10Cl2N4O2S
Molecular Weight333.20 g/mol
Exact Mass331.99
IUPAC Name5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncccn2)c(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N4O2S/c12-8-5-9(13)10(4-7(8)6-14)20(18,19)17-11-15-2-1-3-16-11/h1-5H,6,14H2,(H,15,16,17)
InChIKeyKHCQSGWNOKPEER-UHFFFAOYSA-N
XLogP2.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-2,5-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071897
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
5-(aminomethyl)-2,4-dichloro-N-(3-fluorophenyl)benzenesulfonamide
CID 106060630
3-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071916
5-(aminomethyl)-2,4-dichloro-N-pentylbenzenesulfonamide
CID 106058220
3-amino-4-bromo-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 103077216
5-(aminomethyl)-2,4-dichloro-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018859
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367
5-(aminomethyl)-2,4-dichloro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077788
5-(aminomethyl)-2,4-dichloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327509
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide (CID 106071940) is 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide is NCc1cc(S(=O)(=O)Nc2ncccn2)c(Cl)cc1Cl.
What is the InChIKey of 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is KHCQSGWNOKPEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2S/c12-8-5-9(13)10(4-7(8)6-14)20(18,19)17-11-15-2-1-3-16-11/h1-5H,6,14H2,(H,15,16,17).
What are the key properties of 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide?
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 333.20 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).