N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide

C18H27N5O2S — CID 18566841

IUPACN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1
InChIInChI=1S/C18H27N5O2S/c1-5-12-26(24,25)22-16-10-8-15(9-11-16)20-18-19-14(4)13-17(21-18)23(6-2)7-3/h8-11,13,22H,5-7,12H2,1-4H3,(H,19,20,21)
InChIKeyXFEMFWSIFGGTPC-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.53
Rot. Bonds9

About N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide

N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide (PubChem CID 18566841) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide
PubChem CID18566841
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1
InChIInChI=1S/C18H27N5O2S/c1-5-12-26(24,25)22-16-10-8-15(9-11-16)20-18-19-14(4)13-17(21-18)23(6-2)7-3/h8-11,13,22H,5-7,12H2,1-4H3,(H,19,20,21)
InChIKeyXFEMFWSIFGGTPC-UHFFFAOYSA-N
XLogP3.53
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfamethazine
CID 5327
Sulfisomidine
CID 5343
Sulfamethazine Sodium
CID 13456556
Ro 04-6790
CID 5312145
4-((6-Amino-4-Pyrimidinyl)Amino)Benzenesulfonamide
CID 2608
4-amino-N-[2,6-bis(methylamino)pyridin-4-yl]benzenesulfonamide
CID 5312144
Formylsulfamethine
CID 617853
Dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine
CID 718645
({4-[(Dimethylamino)diazenyl]phenyl}sulfonyl)(4,6-dimethylpyrimidin-2-yl)amine
CID 799989
4-Amino-N-(2-amino-6-methylamino-pyrimidin-4-yl)-benzenesulfonamide
CID 10708918
3-(4,6-Dimethylpyrimidin-2-yl)-1-ethyl-1-phenylguanidine
CID 9593725
Sulfisomidine Sodium
CID 3543157

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide (CID 18566841) is N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1.
What is the InChIKey of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide?
The InChIKey is XFEMFWSIFGGTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-5-12-26(24,25)22-16-10-8-15(9-11-16)20-18-19-14(4)13-17(21-18)23(6-2)7-3/h8-11,13,22H,5-7,12H2,1-4H3,(H,19,20,21).
What are the key properties of N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide?
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 18566841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).