4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C24H29ClN4O3S — CID 57378304

IUPAC4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C24H29ClN4O3S/c1-24(2,3)19-4-7-21(8-5-19)33(30,31)27-22-9-6-20(25)14-23(22)29-17-18(15-26-29)16-28-10-12-32-13-11-28/h4-9,14-15,17,27H,10-13,16H2,1-3H3
InChIKeyBEVWOHBGZUUTFD-UHFFFAOYSA-N
MW489.04 g/mol
LogP4.46
Rot. Bonds6

About 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 57378304) has the molecular formula C24H29ClN4O3S and a molecular weight of 489.04 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID57378304
Molecular FormulaC24H29ClN4O3S
Molecular Weight489.04 g/mol
Exact Mass488.16
IUPAC Name4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(CN3CCOCC3)cn2)cc1
InChIInChI=1S/C24H29ClN4O3S/c1-24(2,3)19-4-7-21(8-5-19)33(30,31)27-22-9-6-20(25)14-23(22)29-17-18(15-26-29)16-28-10-12-32-13-11-28/h4-9,14-15,17,27H,10-13,16H2,1-3H3
InChIKeyBEVWOHBGZUUTFD-UHFFFAOYSA-N
XLogP4.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.04
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-amino-5-morpholin-4-ylpyridazin-3-yl)-4-chlorophenyl]-4-tert-butylbenzenesulfonamide
CID 122185758
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-fluoro-4-methylbenzenesulfonamide
CID 60534230
4-tert-butyl-N-[4-chloro-2-[5-(morpholin-4-ylmethyl)triazol-1-yl]phenyl]benzenesulfonamide
CID 25134395
4-tert-butyl-N-[4-chloro-2-[4-[(dimethylamino)methyl]triazol-1-yl]phenyl]benzenesulfonamide
CID 25134396
4-tert-butyl-N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 25134399
4-tert-butyl-N-[4-chloro-2-[4-(methoxymethyl)triazol-1-yl]phenyl]benzenesulfonamide
CID 25134677
4-tert-butyl-N-(4-chloro-2-pyrazol-1-yl-phenyl)-benzenesulfonamide
CID 25134742
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
1-[2-(4-tert-butyl-benzenesulfonylamino)-5-chloro-phenyl]-1H-pyrazole-4-carboxylic acid ethyl ester
CID 25134745
4-tert-butyl-N-[4-chloro-2-(4-propan-2-ylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134746
4-tert-butyl-N-(4-chloro-2-indazol-1-ylphenyl)benzenesulfonamide
CID 25134804
1-[2-[(4-tert-butylphenyl)sulfonylamino]-5-chlorophenyl]-N,N-dimethylpyrazole-4-carboxamide
CID 25134985

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 57378304) is 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cc(CN3CCOCC3)cn2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is BEVWOHBGZUUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3S/c1-24(2,3)19-4-7-21(8-5-19)33(30,31)27-22-9-6-20(25)14-23(22)29-17-18(15-26-29)16-28-10-12-32-13-11-28/h4-9,14-15,17,27H,10-13,16H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 489.04 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 57378304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).