2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide

C7H10ClN3O3S — CID 107856808

IUPAC2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O3S/c1-5(12)2-11-15(13,14)6-3-9-7(8)10-4-6/h3-5,11-12H,2H2,1H3/t5-/m1/s1
InChIKeyXHMSMGSVPYOGST-RXMQYKEDSA-N
MW251.69 g/mol
LogP-0.21
Rot. Bonds4

About 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide

2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide (PubChem CID 107856808) has the molecular formula C7H10ClN3O3S and a molecular weight of 251.69 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
PubChem CID107856808
Molecular FormulaC7H10ClN3O3S
Molecular Weight251.69 g/mol
Exact Mass251.01
IUPAC Name2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O3S/c1-5(12)2-11-15(13,14)6-3-9-7(8)10-4-6/h3-5,11-12H,2H2,1H3/t5-/m1/s1
InChIKeyXHMSMGSVPYOGST-RXMQYKEDSA-N
XLogP-0.21
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methylpropyl)pyrimidine-5-sulfonamide
CID 43456284
2-chloro-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrimidine-5-sulfonamide
CID 61250547
2-chloro-N-propylpyrimidine-5-sulfonamide
CID 43456271
2-chloro-N-(2-hydroxy-2-methylpropyl)pyrimidine-5-sulfonamide
CID 65107231
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-5-sulfonamide
CID 106033837
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
3-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43502351
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
CID 25252490
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
methyl 4-[(2-chloropyrimidin-5-yl)sulfonylamino]butanoate
CID 61249062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide (CID 107856808) is 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide is C[C@@H](O)CNS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide?
The InChIKey is XHMSMGSVPYOGST-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10ClN3O3S/c1-5(12)2-11-15(13,14)6-3-9-7(8)10-4-6/h3-5,11-12H,2H2,1H3/t5-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide?
2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide has a molecular weight of 251.69 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-hydroxypropyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 107856808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).