1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea

C19H18Cl2N6O3S — CID 130447673

IUPAC1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccnc(N)n2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2N6O3S/c1-11(14-3-2-4-15(20)17(14)21)24-19(28)25-12-5-7-13(8-6-12)31(29,30)27-16-9-10-23-18(22)26-16/h2-11H,1H3,(H2,24,25,28)(H3,22,23,26,27)/t11-/m0/s1
InChIKeyMQBQDSHGACFFNS-NSHDSACASA-N
MW481.37 g/mol
LogP4.05
Rot. Bonds6

About 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea

1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea (PubChem CID 130447673) has the molecular formula C19H18Cl2N6O3S and a molecular weight of 481.37 g/mol. Its IUPAC name is 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea
PubChem CID130447673
Molecular FormulaC19H18Cl2N6O3S
Molecular Weight481.37 g/mol
Exact Mass480.05
IUPAC Name1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccnc(N)n2)cc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H18Cl2N6O3S/c1-11(14-3-2-4-15(20)17(14)21)24-19(28)25-12-5-7-13(8-6-12)31(29,30)27-16-9-10-23-18(22)26-16/h2-11H,1H3,(H2,24,25,28)(H3,22,23,26,27)/t11-/m0/s1
InChIKeyMQBQDSHGACFFNS-NSHDSACASA-N
XLogP4.05
TPSA139.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 54.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea with MolForge

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Related Compounds

1-[4-[[4-(aminomethyl)phenyl]sulfamoyl]phenyl]-3-[(1S)-1-(2-chloro-3-methylphenyl)ethyl]urea
CID 130473632
1-(2-aminopyrimidin-5-yl)-1-(benzenesulfonamido)-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea
CID 140810584
[1-[4-[[4-[[(1S)-1-(2,3-dichlorophenyl)ethyl]carbamoylamino]phenyl]sulfonyl-methylamino]phenyl]-2-methylpropan-2-yl]azanium
CID 140810590
1-[1-(2-chloro-3-methylphenyl)ethyl]-3-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)sulfamoyl]phenyl]urea
CID 145372846
methyl 4-[[4-[[(1S)-1-(2-chloro-3-methylphenyl)ethyl]carbamoylamino]phenyl]sulfonylmethyl]benzoate
CID 130473628
1-[1-(2-chlorophenyl)ethyl]-3-[4-[methoxy(methyl)sulfamoyl]phenyl]urea
CID 55699083
1-[4-[(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)methylsulfonyl]phenyl]-3-[1-(2,3-dichlorophenyl)ethyl]urea
CID 130447234
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
1-[1-(2,3-dichlorophenyl)ethyl]-3-[4-[(6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)methylsulfonyl]phenyl]urea
CID 130447601
1-(2-chlorophenyl)-3-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]urea
CID 4803264
1-[(1R)-1-(2,3-dichlorophenyl)ethyl]-3-[4-[(4-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)methylsulfonyl]phenyl]urea
CID 130447247
1-(5-amino-2-pyridinyl)-1-(benzenesulfonamido)-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea
CID 140810548

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea?
The IUPAC name of 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea (CID 130447673) is 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea.
What is the SMILES notation for 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea?
The canonical SMILES for 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea is C[C@H](NC(=O)Nc1ccc(S(=O)(=O)Nc2ccnc(N)n2)cc1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea?
The InChIKey is MQBQDSHGACFFNS-NSHDSACASA-N. The full InChI is InChI=1S/C19H18Cl2N6O3S/c1-11(14-3-2-4-15(20)17(14)21)24-19(28)25-12-5-7-13(8-6-12)31(29,30)27-16-9-10-23-18(22)26-16/h2-11H,1H3,(H2,24,25,28)(H3,22,23,26,27)/t11-/m0/s1.
What are the key properties of 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea?
1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea has a molecular weight of 481.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-aminopyrimidin-4-yl)sulfamoyl]phenyl]-3-[(1S)-1-(2,3-dichlorophenyl)ethyl]urea is sourced from PubChem (CID 130447673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).