2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide

C13H15ClN4O2S — CID 61053276

IUPAC2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-18(2)9-10-4-3-5-11(6-10)17-21(19,20)12-7-15-13(14)16-8-12/h3-8,17H,9H2,1-2H3
InChIKeyZFMJXINXXXGUQI-UHFFFAOYSA-N
MW326.81 g/mol
LogP1.99
Rot. Bonds5

About 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide

2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide (PubChem CID 61053276) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
PubChem CID61053276
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide
SMILESCN(C)Cc1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1
InChIInChI=1S/C13H15ClN4O2S/c1-18(2)9-10-4-3-5-11(6-10)17-21(19,20)12-7-15-13(14)16-8-12/h3-8,17H,9H2,1-2H3
InChIKeyZFMJXINXXXGUQI-UHFFFAOYSA-N
XLogP1.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dichloro-2-pyridinyl)-N-[3-[(dimethylamino)methyl]phenyl]benzenesulfonamide
CID 45137889
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazole-5-sulfonamide
CID 140565096
[3-[(dimethylamino)methyl]phenyl]sulfamic acid
CID 123946083
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61273424
3-[(2-chloropyrimidin-5-yl)sulfonylamino]benzamide
CID 61053533
5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]butane-1-sulfonamide
CID 116815596
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
6-amino-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 62144898
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide (CID 61053276) is 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide is CN(C)Cc1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1.
What is the InChIKey of 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide?
The InChIKey is ZFMJXINXXXGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-18(2)9-10-4-3-5-11(6-10)17-21(19,20)12-7-15-13(14)16-8-12/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide?
2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide has a molecular weight of 326.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 61053276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).